HMDB Metabolites of Enzymes Dataset

Description Biomolecular interactions between metabolites and proteins, such as processing enzymes, curated from literature
Measurement association by literature curation
Association protein-metabolite associations by manual literature curation
Category physical interactions
Resource Human Metabolome Database
Citation(s)
Last Updated 2015 Apr 06
Stats
  1. 5326 genes
  2. 22137 metabolites
  3. 845725 gene-metabolite associations

Data Access

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Visualizations

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  • Gene Attribute

  • Gene Similarity

metabolite Gene Sets

22137 sets of interacting proteins for metabolites from the curated HMDB Metabolites of Enzymes dataset.

Gene Set Description
TG(22:4(7Z,10Z,13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)
TG(18:2(9Z,12Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
PC(24:0/18:0)
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:1(13Z))
TG(22:0/18:1(11Z)/18:2(9Z,12Z))
TG(16:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
TG(24:1(15Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Methylergonovine
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)
PE(22:1(13Z)/P-18:0)
TG(18:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))
TG(14:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
Enoximone
TG(20:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))
5-Hydroxyindoleacetaldehyde
TG(20:3(5Z,8Z,11Z)/24:0/24:1(15Z))
DG(18:1n9/0:0/18:1n9)
Pristanoyl-CoA A multi-methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pristanic acid.
TG(16:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)
AICAR
Vitamin K1 2,3-epoxide
TG(14:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
TG(16:1(9Z)/24:0/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)
TG(24:0/18:3(9Z,12Z,15Z)/18:1(9Z))
SM(d18:0/22:1(13Z)(OH))
Encainide
TG(24:0/o-18:0/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/20:2n6/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
5-Aminoimidazole-4-carboxamide An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.
DG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/0:0)
PC(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
Trifluoroacetic acid A monocarboxylic acid that is the trifluoro derivative of acetic acid.
TG(16:0/22:0/22:0)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)
TG(16:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))
PC(P-18:1(11Z)/20:0)
TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
PI(18:2(9Z,12Z)/20:1(11Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:0)
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3n6/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/o-18:0)
TG(20:0/20:3n6/20:3(5Z,8Z,11Z))
TG(16:0/14:1(9Z)/22:0)
TG(18:3(6Z,9Z,12Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))
PC(22:2(13Z,16Z)/P-18:1(9Z))
TG(14:1(9Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
CE(18:1(9Z))
Nitrazepam
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Cefepime A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
TG(24:1(15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))
PIP(20:3(8Z,11Z,14Z)/16:0)
TG(20:3n6/20:0/18:4(6Z,9Z,12Z,15Z))
1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene A peptide that has formula C20H24N4O9S.
Lactosylceramide (d18:1/26:0)
TG(14:0/18:3(6Z,9Z,12Z)/15:0)
Oxyphencyclimine
TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/o-18:0)
TG(22:1(13Z)/16:0/18:4(6Z,9Z,12Z,15Z))
TG(20:0/18:2(9Z,12Z)/o-18:0)
PE(20:4(8Z,11Z,14Z,17Z)/16:0)
TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
TG(14:1(9Z)/22:1(13Z)/18:1(11Z))
TG(18:1(11Z)/22:1(13Z)/22:2(13Z,16Z))
TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
5-Methylcytosine
TG(24:0/22:2(13Z,16Z)/22:2(13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
PE(15:0/22:2(13Z,16Z))
TG(20:1(11Z)/22:0/22:1(13Z))
TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/18:2(9Z,12Z)/22:2(13Z,16Z))
PC(22:0/18:2(9Z,12Z))
TG(20:2n6/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
Glucosamine-1P
8,9-Epoxyeicosatrienoic acid
TG(16:0/22:0/24:0)
PE(24:1(15Z)/18:3(9Z,12Z,15Z))
DG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/20:3(5Z,8Z,11Z)/20:1(11Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(15:0/24:0/20:0)
PE(20:4(5Z,8Z,11Z,14Z)/14:0)
Cholesterol sulfate A steroid sulfate that has formula C27H46O4S.
DG(16:0/18:1(11Z)/0:0)
TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/o-18:0/22:1(13Z))
Eplerenone A steroid acid ester that has formula C24H30O6.
TG(20:3(5Z,8Z,11Z)/o-18:0/20:3n6)
S-(2-Chloroacetyl)glutathione A peptide that has formula C12H18ClN3O7S.
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:2n6/o-18:0/20:2n6)
TG(20:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
Palonosetron
PC(16:1(9Z)/22:1(13Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene A phenanthrol that has formula C20H18O2.
TG(22:2(13Z,16Z)/14:0/18:3(9Z,12Z,15Z))
Dephospho-CoA
PC(20:3(5Z,8Z,11Z)/20:1(11Z))
TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(14:1(9Z)/14:1(9Z)/20:1(11Z))
TG(15:0/15:0/15:0)
Chlorphenesin
Ganglioside GT1b (d18:1/18:1(9Z))
TG(18:2(9Z,12Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(P-18:1(9Z)/20:1(11Z))
TG(20:2n6/20:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:1(9Z)/22:1(13Z))
TG(15:0/22:1(13Z)/16:0)
Flucytosine An organofluorine compound that has formula C4H4FN3O.
TG(20:0/18:2(9Z,12Z)/20:1(11Z))
TG(16:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/22:0/20:3n6)
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:3n6)
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
Isoallolithocholic acid
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:2n6)
TG(20:2n6/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
Auranofin
PC(P-18:0/18:3(6Z,9Z,12Z))
TG(16:1(9Z)/18:2(9Z,12Z)/24:1(15Z))
N-Acetylmannosamine Any mannosamine carrying an N-acetyl substituent
DG(22:4(7Z,10Z,13Z,16Z)/14:0/0:0)
TG(15:0/20:1(11Z)/20:3n6)
TG(18:0/22:0/18:0)
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
PE(P-16:0/20:3(8Z,11Z,14Z))
TG(20:2n6/14:1(9Z)/18:3(9Z,12Z,15Z))
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide
TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Ganglioside GM2 (d18:1/24:1(15Z))
TG(14:1(9Z)/16:0/18:3(6Z,9Z,12Z))
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))
Vigabatrin
TG(16:1(9Z)/22:1(13Z)/18:1(11Z))
PC(20:3(8Z,11Z,14Z)/24:1(15Z))
Chlorthalidone An isoindole that has formula C14H11ClN2O4S.
Isocarboxazid
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/o-18:0)
PE(P-16:0e/16:0)
CE(22:5(4Z,7Z,10Z,13Z,16Z))
PC(P-18:1(11Z)/18:1(11Z))
TG(22:2(13Z,16Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate A phenanthrene that has formula C20H16O4S.
TG(20:0/22:2(13Z,16Z)/24:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
5,7,24(28)-Ergostatrienol An ergostanoid that has formula C28H44O.
TG(20:4(5Z,8Z,11Z,14Z)/24:0/18:3(9Z,12Z,15Z))
3-O-beta-D-Galactopyranosyl-L-arabinose
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(16:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/18:0/20:4(8Z,11Z,14Z,17Z))
PE(20:1(11Z)/24:0)
TG(16:0/16:1(9Z)/20:2n6)
Oxyphenonium
TG(18:0/22:2(13Z,16Z)/o-18:0)
TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/15:0/22:2(13Z,16Z))
LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
4-Hydroxypropofol
TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/o-18:0)
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))
TG(24:0/18:0/20:4(8Z,11Z,14Z,17Z))
PC(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
DG(22:5n6/0:0/22:5n6)
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
TG(22:1(13Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/24:1(15Z)/o-18:0)
TG(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(18:0/20:1(11Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:0)
PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/22:2(13Z,16Z)/18:1(9Z))
PE(20:1(11Z)/22:0)
TG(14:0/24:1(15Z)/20:2n6)
(R)-mevalonate A mevalonate that has formula C6H11O4.
TG(22:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(16:1(9Z)/18:3(9Z,12Z,15Z))
TG(22:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/15:0/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/20:0/22:1(13Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
D-Urobilinogen A biladiene that has formula C33H42N4O6.
PC(o-16:1(9Z)/16:1(9Z))
TG(18:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
DG(22:5n3/0:0/22:6n3)
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(20:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Tetracycline A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.
PC(16:1(9Z)/15:0)
Ganglioside GT2 (d18:0/12:0)
TG(14:1(9Z)/22:2(13Z,16Z)/18:1(9Z))
PE(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
MG(0:0/20:0/0:0)
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:1(15Z)/20:2n6/22:2(13Z,16Z))
TG(18:0/14:1(9Z)/18:1(9Z))
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
Phenformin
TG(22:1(13Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
trans-3-Chloro-2-propene-1-ol
PE(P-18:0/14:1(9Z))
PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
Domperidone
TG(18:2(9Z,12Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/16:1(9Z)/20:2n6)
TG(18:1(11Z)/20:2n6/18:3(6Z,9Z,12Z))
Homocitric acid A tricarboxylic acid that has formula C7H10O7.
TG(18:1(11Z)/20:2n6/18:2(9Z,12Z))
Inositol 1,4,5-trisphosphate
TG(20:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/24:0/22:2(13Z,16Z))
PC(20:1(11Z)/24:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z))
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
DG(18:2n6/0:0/18:4n3)
PC(16:0/24:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]
PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/22:2(13Z,16Z)/20:1(11Z))
Ganglioside GM1 (18:1/9Z-18:1)
Ganglioside GM1 (d18:1/24:0)
DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(22:0/20:0/18:2(9Z,12Z))
TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
Argininosuccinic acid
TG(18:1(11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
LysoPE(0:0/18:1(11Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide A pyridine nucleoside consisting of 1,4-dihydronicotinamide with a beta-D-ribofuranosyl moiety at the 1-position.
TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Thromboxane A class of oxygenated oxane derivatives, originally derived from prostaglandin precursors in platelets, that stimulate aggregation of platelets and constriction of blood vessels.
PC(o-24:0/18:3(9Z,12Z,15Z))
DG(22:0/0:0/22:5n6)
TG(24:1(15Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/15:0/20:4(5Z,8Z,11Z,14Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
TG(22:0/16:1(9Z)/18:1(9Z))
Lauroyl-CoA A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lauric (dodecanoic) acid.
Aceprometazine
TG(16:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))
CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
DG(22:0/0:0/16:1n7)
DG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/0:0)
TG(15:0/14:1(9Z)/18:1(11Z))
TG(15:0/18:3(6Z,9Z,12Z)/20:3n6)
TG(15:0/22:0/18:2(9Z,12Z))
TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
D-Glucuronic acid 1-phosphate A uronic acid phosphate consisting of D-glucuronic acid having a phosphate group attached at the 1-position.
TG(24:0/24:1(15Z)/24:0)
TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:3(9Z,12Z,15Z)/16:0)
TG(14:0/20:0/18:3(9Z,12Z,15Z))
Ganglioside GD2 (d18:1/14:0)
Beta-D-Glucopyranuronic acid A D-glucopyranuronic acid in which the anomeric centre has beta-configuration.
Hydrogen selenide A selenium hydride that has formula H2Se.
TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(20:1(11Z)/20:0)
PIP(18:3(6Z,9Z,12Z)/18:0)
DG(18:1n7/0:0/22:5n6)
PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
TG(18:1(9Z)/15:0/22:2(13Z,16Z))
3a,7a,12a-Trihydroxy-5b-24-oxocholestanoyl-CoA
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
7-Methylguanosine 5'-diphosphate A guanosine 5'-phosphate that consists of guanosine 5'-diphosphate bearing a 7-methyl substituent and having a negatively charged diphosphate group.
TG(20:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
DG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:2(9Z,12Z)/18:1(9Z)/20:2n6)
TG(20:2n6/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(24:1(15Z)/22:2(13Z,16Z)/22:2(13Z,16Z))
OPC4-CoA An organic molecule that has formula C35H56N7O18P3S.
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Emedastine
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
TG(24:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
PC(20:4(5Z,8Z,11Z,14Z)/15:0)
PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GD2 (d18:1/16:0)
Praziquantel A pyrazinoisoquinoline that has formula C19H24N2O2.
TG(16:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
Clotrimazole A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group.
TG(14:0/24:0/20:2n6)
TG(14:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))
TG(15:0/14:0/22:2(13Z,16Z))
TG(18:1(9Z)/15:0/18:3(6Z,9Z,12Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
DG(20:0/0:0/18:4n3)
PC(18:3(6Z,9Z,12Z)/P-18:0)
TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)
DG(16:0/20:1(11Z)/0:0)
TG(18:1(11Z)/14:1(9Z)/18:2(9Z,12Z))
TG(14:1(9Z)/18:2(9Z,12Z)/18:1(11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/o-18:0)
TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z))[iso3]
TG(14:0/22:0/20:0)
TG(14:0/22:2(13Z,16Z)/22:0)
PIP2(20:2(11Z,14Z)/18:0)
TG(20:1(11Z)/20:2n6/20:1(11Z))
TG(18:3(6Z,9Z,12Z)/18:0/18:4(6Z,9Z,12Z,15Z))
TG(22:0/20:2n6/24:0)
TG(14:0/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)
Tyramine
TG(22:0/18:0/20:2n6)
TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)
DG(22:0/18:1(11Z)/0:0)
TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:0/22:0/o-18:0)
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:0)
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(14:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
TG(15:0/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(22:0/18:1(9Z)/18:3(6Z,9Z,12Z))
PC(P-16:0/20:2(11Z,14Z))
TG(14:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
Biotinyl-5'-AMP A biotin that has formula C20H28N7O9PS.
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/o-18:0)
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
PC(22:2(13Z,16Z)/18:0)
DG(18:0/0:0/18:4n3)
P1,P4-Bis(5'-xanthosyl) tetraphosphate A purine ribonucleoside 5'-tetraphosphate compound having 5'-xanthosyl residues at the P(1)- and P(4)-positions.
DG(14:1(9Z)/16:1(9Z)/0:0)
TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(15:0/22:0/15:0)
TG(24:0/22:2(13Z,16Z)/24:1(15Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(16:0/14:1(9Z)/20:2n6)
PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
Ganglioside GM1 (d18:0/25:0)
PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
DG(22:0/20:4(5Z,8Z,11Z,14Z)/0:0)
PC(P-18:1(9Z)/22:2(13Z,16Z))
TG(20:0/14:0/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
DG(20:1(11Z)/20:2(11Z,14Z)/0:0)
TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GM1 (d18:0/23:0)
PC(o-18:1(9Z)/18:2(9Z,12Z))
TG(15:0/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(14:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(22:1(13Z)/22:1(13Z)/o-18:0)
TG(14:1(9Z)/18:2(9Z,12Z)/14:1(9Z))
TG(20:1(11Z)/20:2n6/22:2(13Z,16Z))
PE(24:0/18:2(9Z,12Z))
TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
Metyrapone
TG(18:1(9Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Trichloroethanol glucuronide A glucosiduronic acid that has formula C8H11Cl3O7.
TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GT1c (d18:0/26:1(17Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/22:0/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]
PC(24:1(15Z)/18:0)
TG(18:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(14:1(9Z)/18:1(11Z)/22:1(13Z))
Dolichol-20
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/0:0)
TG(14:0/16:0/14:0)
TG(15:0/18:4(6Z,9Z,12Z,15Z)/24:0)
Terfenadine
DG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))
Ofloxacin An oxazinoquinolone carrying carboxy, fluoro, methyl and 4-methylpiperazino substituents. A synthetic fluoroquinolone antibacterial agent, it inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.
PIP2(18:3(6Z,9Z,12Z)/18:1(11Z))
PE(16:0/20:4(5Z,8Z,11Z,14Z))
3-alpha-Androstanediol glucuronide
TG(24:1(15Z)/14:0/20:4(8Z,11Z,14Z,17Z))
TG(14:0/20:2n6/o-18:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
PE(20:4(5Z,8Z,11Z,14Z)/24:0)
Mannosyl-diinositol-phosphorylceramide
TG(24:0/18:1(11Z)/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/14:0/20:3n6)
TG(20:4(8Z,11Z,14Z,17Z)/16:0/o-18:0)
TG(16:0/18:0/22:1(13Z))
3a-Hydroxy-5b-pregnane-20-one
TG(18:3(9Z,12Z,15Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
DG(18:1n9/0:0/22:6n3)
TG(20:1(11Z)/18:0/18:3(6Z,9Z,12Z))
TG(24:0/20:1(11Z)/16:1(9Z))
TG(18:1(9Z)/20:2n6/18:3(6Z,9Z,12Z))
Ganglioside GM1 (18:1/22:0)
TG(24:1(15Z)/14:0/24:1(15Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))
TG(14:0/24:1(15Z)/14:1(9Z))
PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
TG(16:0/16:0/14:1(9Z))
(S)-Hydroxydecanoyl-CoA
TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:0)
PC(18:3(6Z,9Z,12Z)/22:1(13Z))
PIP2(16:0/22:3(10Z,13Z,16Z))
TG(20:0/18:3(9Z,12Z,15Z)/20:3n6)
Diethylphosphate
TG(18:1(11Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))
PI(18:1(9Z)/20:3(5Z,8Z,11Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
PE(18:2(9Z,12Z)/14:0)
PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
TG(16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(18:3(6Z,9Z,12Z)/24:0)
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))
Pyridoxine 5'-phosphate A vitamin B6 phosphate that has formula C8H12NO6P.
DG(24:1(15Z)/14:1(9Z)/0:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/o-18:0)
Topiramate A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.
Ganglioside GT2 (d18:0/25:0)
TG(16:1(9Z)/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
DG(18:0/18:4(6Z,9Z,12Z,15Z)/0:0)
TG(15:0/18:1(11Z)/16:0)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:0)
TG(15:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(18:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/20:2n6/18:0)
Acitretin
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/o-18:0)
TG(18:1(9Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))
TG(18:0/18:3(9Z,12Z,15Z)/20:1(11Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))
TG(20:2n6/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
4-Hydroxyphenylacetaldehyde A phenylacetaldehyde that has formula C8H8O2.
TG(15:0/o-18:0/20:3n6)
PE(14:0/18:0)
B-Carotene
PE(18:2(9Z,12Z)/16:0)
TG(20:3n6/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
Betahistine
TG(22:1(13Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Propionylcarnitine
TG(20:3n6/18:1(11Z)/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
PG(16:0/20:3(5Z,8Z,11Z))
TG(15:0/16:0/18:0)
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
PC(22:2(13Z,16Z)/P-18:1(11Z))
Palmityl-CoA
TG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
TG(24:0/16:0/18:3(6Z,9Z,12Z))
TG(20:0/22:1(13Z)/20:3(5Z,8Z,11Z))
TG(20:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
Nicotinic acid mononucleotide
PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)
TG(16:0/24:1(15Z)/18:1(9Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
TG(18:0/18:0/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(P-18:1(9Z)/18:1(9Z))
DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(24:1(15Z)/20:0/20:4(5Z,8Z,11Z,14Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))
TG(14:0/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(20:1(11Z)/18:1(9Z)/20:3(5Z,8Z,11Z))
TG(20:3n6/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
DG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)
TG(22:1(13Z)/22:0/22:2(13Z,16Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
TG(18:1(11Z)/15:0/18:3(9Z,12Z,15Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
TG(18:1(11Z)/16:0/o-18:0)
TG(20:2n6/22:0/20:3n6)
TG(18:0/22:0/o-18:0)
TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(20:2n6/14:0/o-18:0)
TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/o-18:0/18:2(9Z,12Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)
PE(14:1(9Z)/22:2(13Z,16Z))
LysoPC(P-18:0)
TG(18:1(9Z)/18:2(9Z,12Z)/20:2n6)
TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:2(13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
TG(20:0/20:1(11Z)/18:2(9Z,12Z))
Cholecalciferol
TG(15:0/14:0/20:2n6)
TG(24:1(15Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
DG(18:3(9Z,12Z,15Z)/16:0/0:0)
DG(20:1n9/0:0/18:4n3)
Enalapril A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).
TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/20:0/18:1(11Z))
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:0/20:3n6/18:2(9Z,12Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
DG(20:4n6/0:0/22:4n6)
TG(20:0/22:1(13Z)/20:0)
DG(18:1(11Z)/18:0/0:0)
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/18:3(9Z,12Z,15Z)/o-18:0)
DG(14:0/16:1(9Z)/0:0)
PE(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
Chlorpromazine A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.
TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(14:0/22:2(13Z,16Z)/20:2n6)
TG(16:1(9Z)/22:0/20:1(11Z))
N-Acetylgalactosamine 4-sulphate
TG(18:1(11Z)/14:1(9Z)/20:2n6)
PE(20:3(5Z,8Z,11Z)/24:0)
Oxygen A chalcogen that has formula O.
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/18:1(9Z)/22:0)
Ganglioside GT1c (d18:1/18:1(11Z))
CL(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(22:1(13Z)/18:0/20:2n6)
TG(14:1(9Z)/22:2(13Z,16Z)/20:1(11Z))
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
DG(20:1n9/0:0/20:5n3)
NAD
PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
Nonoxynol-9
TG(20:0/22:1(13Z)/22:0)
TG(22:0/20:2n6/16:1(9Z))
TG(18:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
Calcitriol A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.
TG(20:3(5Z,8Z,11Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(14:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(14:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/22:2(13Z,16Z)/22:1(13Z))
TG(15:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)
DG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PC(18:0/24:0)
TG(22:1(13Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/24:0/24:1(15Z))
Tetrahydroaldosterone-3-glucuronide
TG(20:3n6/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
PIP2(16:0/18:2(9Z,12Z))
TG(24:1(15Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))
TG(16:0/18:0/20:4(8Z,11Z,14Z,17Z))
TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
LysoPE(0:0/14:0)
PIP2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine
TG(16:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PIP(18:1(9Z)/20:1(11Z))
Ganglioside GQ1c (d18:1/16:0)
LPA(18:2(9Z,12Z)/0:0)
TG(16:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))
Megestrol A 3-oxo Delta(4)-steroid that is pregna-4,6-diene-3,20-dione substituted by a hydroxy group at position 17.
TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]
Perphenazine A member of the class of phenothiazines that is phenothiazine having a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the N-10 position.
Ganglioside GQ1c (d18:1/18:0)
TG(22:2(13Z,16Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(20:3(8Z,11Z,14Z)/24:0)
TG(20:3(5Z,8Z,11Z)/24:0/20:4(8Z,11Z,14Z,17Z))
DG(22:1(13Z)/20:2(11Z,14Z)/0:0)
cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA An organic molecule that has formula C31H50N7O17P3S.
TG(22:0/18:1(9Z)/24:1(15Z))
TG(20:1(11Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/24:0/18:1(9Z))
TG(16:1(9Z)/22:1(13Z)/20:1(11Z))
CDP-DG(18:1(9Z)/18:1(11Z))
TG(20:2n6/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(20:4(8Z,11Z,14Z,17Z)/22:0)
PIP2(18:0/18:1(9Z))
Reboxetine
TG(24:0/14:0/o-18:0)
PE(14:0/22:5(7Z,10Z,13Z,16Z,19Z))
1,2-Dihydronaphthalene-1,2-diol A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively.
TG(15:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PIP2(18:0/16:0)
TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(14:0/16:0/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(16:0/22:2(13Z,16Z)/22:1(13Z))
TG(20:1(11Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
Aspartame
TG(22:2(13Z,16Z)/20:0/18:3(9Z,12Z,15Z))
Formaldehyde The simplest aldehyde.
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Aripiprazole A quinolone that has formula C23H27Cl2N3O2.
PC(20:4(8Z,11Z,14Z,17Z)/24:0)
PE(18:3(6Z,9Z,12Z)/16:0)
TG(20:2n6/18:1(11Z)/18:3(9Z,12Z,15Z))
N-Acetylserotonin A member of the class of hydroxyindoles that is the N-acetyl derivative of serotonin.
TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Cefadroxil A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.
TG(14:1(9Z)/15:0/14:1(9Z))
TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Doxylamine A tertiary amine that has formula C17H22N2O.
TG(18:0/18:3(9Z,12Z,15Z)/14:1(9Z))
TG(20:4(8Z,11Z,14Z,17Z)/15:0/o-18:0)
DG(18:3(9Z,12Z,15Z)/22:1(13Z)/0:0)
TG(18:3(6Z,9Z,12Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))
Terlipressin
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(20:0/22:1(13Z)/20:1(11Z))
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
DG(20:3n6/0:0/22:6n3)
TG(20:1(11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))
PE(18:0/P-18:1(11Z))
PE(16:1(9Z)/P-18:1(11Z))
TG(20:1(11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
PC(P-18:1(9Z)/18:0)
TG(20:1(11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
LysoPE(24:0/0:0)
DG(24:1n9/0:0/22:5n6)
TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
Methylphenidate A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.
DG(18:0/22:0/0:0)
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
TG(18:1(11Z)/o-18:0/22:1(13Z))
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Misoprostol A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form.
Tiludronate
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
TG(24:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:4(5Z,8Z,11Z,14Z)/20:0)
1-Methylhistamine
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(15:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/16:1(9Z)/18:1(9Z))[iso6]
2-Methoxyestradiol
TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:2(13Z,16Z))
Methoxsalen
TG(14:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/14:0)
TG(14:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
3,4-Dihydroxybenzeneacetic acid
Ganglioside GT3 (d18:0/22:1(13Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Grepafloxacin
TG(16:0/o-18:0/22:0)
PE(20:4(5Z,8Z,11Z,14Z)/22:0)
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/16:0)
TG(20:1(11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
Cefacetrile
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
DG(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)
TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
DG(14:0/0:0/20:3n9)
TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(18:0/24:0/o-18:0)
TG(16:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
Thioproperazine
TG(15:0/18:3(9Z,12Z,15Z)/15:0)
PIP(18:0/20:4(8Z,11Z,14Z,17Z))
Meclofenamic acid An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.
PG(18:1(11Z)/20:3(8Z,11Z,14Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Coenzyme Q10 A ubiquinone having a side chain of 10 isoprenoid units. In the naturally-occurring isomer, all isoprenyl double bonds are in the E- configuration.
Pentazocine A benzazocine that has formula C19H27NO.
TG(20:0/22:1(13Z)/16:1(9Z))
TG(16:1(9Z)/18:0/20:1(11Z))[iso6]
TG(14:0/24:1(15Z)/22:1(13Z))
PC(18:3(9Z,12Z,15Z)/22:1(13Z))
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
PE(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
DG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(24:1(15Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:0)
TG(24:0/20:1(11Z)/24:1(15Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)
TG(14:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/22:0/20:1(11Z))
Carboxyphosphamide A nitrogen mustard that has formula C7H15Cl2N2O4P.
TG(15:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/20:0/o-18:0)
Gamma-linolenoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of gamma-linolenic acid.
TG(16:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:0)
Ganglioside GT1b (d18:0/16:0)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/15:0/18:3(9Z,12Z,15Z))
TG(20:0/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
PE(20:3(5Z,8Z,11Z)/P-18:0)
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/18:0/20:3n6)
TG(14:1(9Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Gentisate aldehyde
TG(15:0/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
DG(24:0/0:0/22:2n6)
Fluspirilene
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
Androsterone sulfate A steroid sulfate that is the 3-sulfate of androsterone.
TG(22:2(13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:0/14:0/20:3n6)
Amprenavir
TG(18:1(11Z)/14:1(9Z)/20:1(11Z))
Ganglioside GT1b (d18:0/14:0)
TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/18:0/18:1(9Z))[iso6]
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/14:1(9Z)/18:3(6Z,9Z,12Z))
TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:1(15Z)/22:0/22:2(13Z,16Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))
TG(20:1(11Z)/15:0/18:4(6Z,9Z,12Z,15Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)
TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
PC(14:0/22:2(13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PIP(16:0/20:3(8Z,11Z,14Z))
Sucralfate
TG(20:3n6/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/18:2(9Z,12Z)/20:2n6)
TG(15:0/18:2(9Z,12Z)/18:0)
DG(22:1(13Z)/20:3(8Z,11Z,14Z)/0:0)
TG(24:0/20:3n6/o-18:0)
TG(16:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/15:0)
PC(22:0/22:0)
TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:3n6)
TG(20:0/22:0/24:1(15Z))
Ganglioside GD3 (d18:1/26:0)
TG(15:0/22:0/16:0)
TG(18:1(11Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
DG(14:0/0:0/18:3n6)
TG(22:2(13Z,16Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))
TG(22:1(13Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/18:0/22:1(13Z))
PG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
PI(18:0/18:0)
TG(24:0/14:0/18:2(9Z,12Z))
PC(18:0/14:0)
Valeric acid A straight-chain saturated fatty acid containing five carbon atoms.
TG(20:2n6/20:0/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:0/18:4(6Z,9Z,12Z,15Z))
Selenomethionine
TG(24:1(15Z)/16:0/22:2(13Z,16Z))
PC(16:1(9Z)/20:1(11Z))
Niflumic Acid
Cyanocobalamin
TG(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Chenodeoxycholoyl-CoA A choloyl-CoA formed by thioester linkage between chenodeoxycholic acid and coenzyme A.
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
3-O-Sulfogalactosylceramide (d18:1/26:1(17Z))
TG(22:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/15:0/20:4(8Z,11Z,14Z,17Z))
TG(22:0/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
3-Hydroxypropionyl-CoA
TG(22:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol A 7alpha,24-dihydroxycholesterol that has formula C27H46O3.
TG(24:1(15Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
TG(20:1(11Z)/24:1(15Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
dTDP A thymidine phosphate having a diphosphate group at the 5'-position.
TG(14:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/16:0/20:1(11Z))
TG(20:3n6/22:0/o-18:0)
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
Ganglioside GD3 (d18:0/25:0)
TG(14:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
PC(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/20:0/22:2(13Z,16Z))
DG(22:6n3/0:0/22:6n3)
TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/o-18:0/18:3(9Z,12Z,15Z))
TG(18:2(9Z,12Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
PS(18:2(9Z,12Z)/16:1(9Z))
DG(16:1(9Z)/18:1(11Z)/0:0)
TG(22:2(13Z,16Z)/20:1(11Z)/o-18:0)
TG(22:4(7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z))
PE(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
TG(18:0/24:1(15Z)/20:0)
PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))
DG(15:0/20:3(8Z,11Z,14Z)/0:0)
TG(24:1(15Z)/18:0/24:1(15Z))
TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/18:0/18:1(11Z))[iso3]
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:2(13Z,16Z))
TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
PIP(18:2(9Z,12Z)/18:1(11Z))
Dihydrolipoamide A dithiol that has formula C8H17NOS2.
TG(18:0/20:1(11Z)/22:1(13Z))
TG(14:0/20:2n6/22:0)
TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))
DG(18:1n7/0:0/18:2n6)
TG(15:0/20:3n6/24:1(15Z))
TG(22:0/20:0/16:1(9Z))
DG(20:3(8Z,11Z,14Z)/22:1(13Z)/0:0)
TG(14:0/20:2n6/18:3(6Z,9Z,12Z))
TG(14:1(9Z)/20:1(11Z)/14:1(9Z))
DG(14:1(9Z)/20:3(5Z,8Z,11Z)/0:0)
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
PE(P-18:1(11Z)/18:1(9Z))
TG(24:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))
TG(14:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Bupivacaine A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(22:2(13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(14:1n5/0:0/18:3n3)
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(20:0/20:2n6/24:0)
TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:3n6)
TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)
TG(15:0/18:3(6Z,9Z,12Z)/14:1(9Z))
PE(14:0/18:2(9Z,12Z))
TG(24:0/15:0/18:2(9Z,12Z))
R-Methylmalonyl-CoA The (R)-enantiomer of methylmalonyl-CoA.
Oxidized glutathione
TG(24:0/24:0/14:1(9Z))
CE(20:1(11Z))
TG(22:0/24:0/18:1(11Z))
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
14,15-Epoxy-5,8,11-eicosatrienoic acid
Xanthan
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))
TG(16:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))
DG(14:1n5/0:0/18:1n7)
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
Amcinonide A corticosteroid that has formula C28H35FO7.
TG(20:3(5Z,8Z,11Z)/20:3n6/22:2(13Z,16Z))
TG(16:0/16:0/24:1(15Z))
Oxoadipic acid
PG(18:0/18:1(11Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/o-18:0)
TG(18:1(11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
Methylphenobarbital
3-Methylhistidine A histidine derivative in which the methyl group is located at N-3.
TG(18:2(9Z,12Z)/16:1(9Z)/20:3n6)
PC(14:1(9Z)/24:1(15Z))
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate Conjugate base of 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylic acid.
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
DG(16:0/0:0/24:0)
TG(16:0/24:1(15Z)/20:1(11Z))
TG(24:0/22:1(13Z)/16:1(9Z))
Indacaterol
TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
Stavudine A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase
TG(20:1(11Z)/15:0/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/20:2n6/o-18:0)
DG(22:0/0:0/20:2n6)
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
TG(20:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(24:1(15Z)/20:2n6/24:1(15Z))
Bupropion A propanone that is propan-1-one substituted by a tert-butylamino group at position 2 and a 3-chlorophenyl group at position 1.
TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Murocholic acid
TG(24:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
Gestodene
TG(14:0/16:0/22:2(13Z,16Z))
12-Ketodeoxycholic acid
PC(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))
Methylimidazole acetaldehyde
PI(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(14:0/16:0/20:3n6)
TG(14:1(9Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/20:1(11Z)/18:1(11Z))
Lisuride
DG(18:2n6/0:0/20:5n3)
TG(16:0/16:1(9Z)/22:1(13Z))
TG(24:1(15Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
PIP(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
TG(24:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:3n6)
TG(15:0/16:1(9Z)/20:3n6)
TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PIP2(18:1(11Z)/16:1(9Z))
DG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)
TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:0)
PE(20:0/20:3(8Z,11Z,14Z))
PE(P-18:1(9Z)/14:1(9Z))
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
TG(22:0/20:1(11Z)/24:0)
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:0)
TG(22:2(13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PC(20:3(8Z,11Z,14Z)/18:1(9Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))
Sodium
Lewis X trisaccharide
PC(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Pyrophosphate
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
Corticosterone A 21-hydroxy steroid that is consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands.
PG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/22:1(13Z)/20:1(11Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:0)
TG(18:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(16:0/15:0/18:2(9Z,12Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Hexacosanoyl-CoA A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of hexacosanoic (cerotic) acid..
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/15:0/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)
DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/0:0)
11beta,17beta-Dihydroxy-4-androsten-3-one A 3-hydroxy steroid that has formula C19H28O3.
TG(18:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:0/16:1(9Z)/20:1(11Z))
(2E)-Tetradecenoyl-CoA An acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of trans-tetradec-2-enoyl-CoA; major species at pH 7.3.
DG(22:1(13Z)/22:2(13Z,16Z)/0:0)
TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/16:0/o-18:0)
TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
PE(22:4(7Z,10Z,13Z,16Z)/18:0)
TG(16:0/16:1(9Z)/18:3(6Z,9Z,12Z))
TG(16:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
N-Acetyl-L-phenylalanine The N-acetyl derivative of L-phenylalanine.
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
Pentoxifylline
PIP(16:0/20:1(11Z))
TG(18:0/24:0/20:2n6)
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Fosphenytoin
TG(22:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/18:3(6Z,9Z,12Z)/20:2n6)
TG(22:2(13Z,16Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/18:1(9Z)/16:1(9Z))[iso6]
PE(18:3(6Z,9Z,12Z)/P-18:1(9Z))
TG(15:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/18:0/20:0)
TG(15:0/22:0/o-18:0)
TG(15:0/20:0/18:3(6Z,9Z,12Z))
TG(18:0/24:0/18:0)
Oxalacetic acid
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:3n6/15:0)
TG(18:3(6Z,9Z,12Z)/22:0/18:4(6Z,9Z,12Z,15Z))
Hyperforin A sesquarterpenoid that has formula C35H52O4.
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:0/20:1(11Z)/18:2(9Z,12Z))
TG(15:0/24:1(15Z)/22:0)
TG(20:0/15:0/20:2n6)
TG(14:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
Sulfaphenazole A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.
Ganglioside GT3 (d18:1/18:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
1-Hexadecanol
TG(18:0/14:1(9Z)/22:1(13Z))
DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0)
TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(24:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(14:0/20:0)
TG(16:0/20:3n6/16:0)
DG(16:0/20:3(8Z,11Z,14Z)/0:0)
TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
16-alpha,17-beta-estriol 17-beta-D-glucuronide A steroid saponin that has formula C24H31O9.
DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0)
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Porfimer
TG(15:0/o-18:0/18:4(6Z,9Z,12Z,15Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(16:0/20:3n6/18:0)
Mefenamic acid An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.
TG(20:0/o-18:0/24:0)
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))
TG(24:0/22:0/24:1(15Z))
TG(24:0/14:0/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(15:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/16:1(9Z)/20:2n6)
TG(18:1(11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))
TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG(22:2(13Z,16Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/15:0/22:1(13Z))
Sorafenib
TG(16:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/o-18:0)
PE(14:0/22:0)
TG(15:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
Indoleacetic acid
TG(18:2(9Z,12Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
PI(16:2(9Z,12Z)/18:0)
TG(22:1(13Z)/22:0/22:1(13Z))
TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
Calcium
PC(22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GT3 (d18:0/12:0)
TG(24:1(15Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Zoledronate
TG(24:1(15Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/o-18:0)
TG(22:0/22:4(7Z,10Z,13Z,16Z)/24:0)
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
Vorinostat
TG(18:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
3-Methylguanine A methylguanine carrying the methyl substituent at position 3.
DG(18:1(9Z)/18:3(9Z,12Z,15Z)/0:0)
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/22:1(13Z)/20:3n6)
TG(20:0/20:2n6/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
Ganglioside GQ1c (d18:1/20:0)
PC(18:1(11Z)/18:1(9Z))
PC(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
5,6-Dihydrouridine The uridine derivative obtained by formal hydrogenation of the endocyclic double bond in the uracil ring.
TG(15:0/22:1(13Z)/14:1(9Z))
TG(22:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/20:0/o-18:0)
TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)
DG(18:3n6/0:0/22:6n3)
TG(16:0/22:0/18:2(9Z,12Z))
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid
TG(14:1(9Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
PE(16:0/P-18:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))
(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA An organic molecule that has formula C48H80N7O19P3S.
TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/o-18:0)
TG(24:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Decyl alcohol
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(22:0/16:1(9Z)/22:1(13Z))
TG(22:1(13Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Hexacarboxylporphyrin III
TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
3-Hydroxy-5-methylhex-4-enoyl-CoA A polyol that has formula C28H46N7O18P3S.
TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)
Ganglioside GM3 (d18:1/24:0)
PC(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
Chenodeoxycholic acid A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GM3 (d18:1/22:0)
TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
Superoxide An oxygen radical that has formula O2.
PE(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
PC(18:3(9Z,12Z,15Z)/24:0)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
TG(20:2n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
Levorphanol
TG(14:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
DG(18:0/0:0/20:4n3)
TG(18:1(9Z)/24:1(15Z)/18:1(9Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/18:3(6Z,9Z,12Z)/20:2n6)
PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/24:0/16:1(9Z))
Cellobiose A glycosylglucose that is disaccharide containing two glucose units linked via a beta(1->4) bond.
TG(15:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
TG(22:1(13Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
12a-Hydroxy-3-oxocholadienic acid
TG(14:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
CDP-DG(18:0/18:2(9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:4(5Z,8Z,11Z,14Z))
Benzo[a]pyrene-4,5-oxide A carbopolycyclic compound that has formula C20H12O.
TG(24:0/15:0/20:2n6)
2-Oxosuccinamate The conjugate base of 2-oxosuccinamic acid; major species at pH 7.3.
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)
TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/20:3n6/18:3(6Z,9Z,12Z))
TG(14:0/18:3(6Z,9Z,12Z)/18:1(11Z))
TG(24:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
PE(18:1(9Z)/20:3(5Z,8Z,11Z))
PIP(18:1(11Z)/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/14:0/20:2n6)
TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
DG(14:1n5/0:0/18:2n6)
TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
Hypoxanthine A purine nucleobase that consists of purine bearing an oxo substituent at position 6.
TG(20:3n6/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(16:1(9Z)/P-18:0)
PE(20:1(11Z)/15:0)
PE(P-18:1(9Z)/18:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Cefalotin A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections.
TG(22:4(7Z,10Z,13Z,16Z)/16:0/18:3(9Z,12Z,15Z))
TG(15:0/18:3(9Z,12Z,15Z)/20:3n6)
sn-glycero-3-Phosphoethanolamine A glycerophosphatidylethanolamine that has formula C5H14NO6P.
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Ranitidine A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/24:1(15Z)/16:1(9Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Sulpiride
DG(20:3n9/0:0/20:5n3)
Ganglioside GD1b (d18:1/20:0)
TG(16:1(9Z)/18:0/22:1(13Z))
PE(20:1(11Z)/P-18:1(11Z))
TG(18:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso3]
TG(18:1(9Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/16:0/20:4(8Z,11Z,14Z,17Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
PC(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
TG(14:0/18:1(9Z)/18:0)
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
Riboflavin D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide.
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
TG(20:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6/o-18:0)
TG(20:0/18:2(9Z,12Z)/20:2n6)
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
TG(22:4(7Z,10Z,13Z,16Z)/18:0/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/15:0/18:4(6Z,9Z,12Z,15Z))
dGTP A purine 2'-deoxyribonucleoside 5'-triphosphate having guanine as the nucleobase.
TG(18:2(9Z,12Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/14:1(9Z)/16:1(9Z))
PE(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(16:0/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(18:1(11Z)/22:2(13Z,16Z)/0:0)
TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/o-18:0)
PE(14:1(9Z)/20:1(11Z))
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
PG(16:1(9Z)/20:3(5Z,8Z,11Z))
Tetrahydrofolyl-[Glu](2)
25-Hydroxycholesterol A 25-hydroxy steroid that has formula C27H46O2.
TG(18:1(9Z)/22:1(13Z)/22:2(13Z,16Z))
TG(24:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(20:0/18:1(11Z))
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0)
2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone
TG(20:0/22:1(13Z)/20:3n6)
1-Naphthaldehyde A naphthaldehyde with a formyl group at position 1.
Ardeparin
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
Caproic acid A C6, straight-chain saturated fatty acid.
Methotrexate A pteridine that has formula C20H22N8O5.
Chondroitin 6'-sulfate A chondroitin sulfate in which the site of sulfation is carbon 6 of the N-acetylgalactosamine (GalNAc) sugar.
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))
CDP-DG(16:0/18:1(9Z))
TG(14:0/18:3(9Z,12Z,15Z)/18:0)
TG(14:0/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:0)
PC(18:3(6Z,9Z,12Z)/14:1(9Z))
DG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(20:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/16:0/24:0)
TG(18:1(9Z)/20:2n6/20:3n6)
TG(14:0/15:0/o-18:0)
PIP(22:2(13Z,16Z)/16:0)
TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]
TG(18:3(6Z,9Z,12Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
2-Phospho-D-glyceric acid A 2-Phosphoglyceric acid in which the glyceric acid moiety has D (R) configuration.
3-Methoxy-4-hydroxyphenylglycol glucuronide
TG(15:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/20:1(11Z)/o-18:0)
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)
2-Oxo-4-methylthiobutanoic acid
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
PC(20:3(5Z,8Z,11Z)/P-16:0)
TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
PC(P-18:1(9Z)/22:0)
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
LysoPE(18:4(6Z,9Z,12Z,15Z)/0:0)
TG(14:1(9Z)/24:1(15Z)/20:1(11Z))
TG(14:0/18:2(9Z,12Z)/18:1(11Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:0)
TG(14:0/20:4(8Z,11Z,14Z,17Z)/15:0)
TG(14:1(9Z)/20:1(11Z)/20:3(5Z,8Z,11Z))
Cyanide A pseudohalide anion that is the conjugate base of hydrogen cyanide.
S-Adenosylhomocysteine
DG(20:5n3/0:0/22:5n3)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(20:3n6/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
Indecainide
Dopamine 3-O-sulfate An aryl sulfate that has formula C8H11NO5S.
TG(18:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
DG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)
Beta-Aminopropionitrile An aminopropionitrile carrying an amino group at the beta-position.
Conivaptan
TG(16:0/22:0/20:1(11Z))
TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))
TG(16:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/o-18:0)
TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/o-18:0)
6-Dehydrotestosterone glucuronide
PC(P-18:1(11Z)/18:2(9Z,12Z))
Sitagliptin A triazolopyrazine that exhibits hypoglycemic activity.
PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/18:1(11Z)/24:0)
TG(20:3n6/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
S-Acetyldihydrolipoamide-E
TG(16:0/24:0/14:1(9Z))
PI(20:2(11Z,14Z)/16:0)
PE(18:0/15:0)
PC(24:0/22:4(7Z,10Z,13Z,16Z))
TG(18:1(9Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
PE(14:0/18:4(6Z,9Z,12Z,15Z))
Ajmaline
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:2n6)
PE(14:0/16:0)
PI(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
7-Hydroxymethyl-12-methylbenz[a]anthracene A phenanthrene that has formula C20H16O.
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))
TG(18:3(9Z,12Z,15Z)/16:0/18:3(9Z,12Z,15Z))[iso3]
Stearoyl-CoA A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid.
TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(24:1(15Z)/20:0)
TG(18:3(6Z,9Z,12Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
Ursocholic acid A bile acid that has formula C24H40O5.
TG(16:0/18:3(6Z,9Z,12Z)/24:1(15Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/18:3(6Z,9Z,12Z)/24:0)
TG(22:1(13Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/20:2n6/24:1(15Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Fluorine A monoatomic fluorine that has formula F.
5-Amino-6-ribitylamino uracil
TG(20:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GQ1c (d18:0/12:0)
TG(14:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/18:3(9Z,12Z,15Z)/24:0)
PE(22:0/P-18:1(9Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))
TG(20:0/18:3(6Z,9Z,12Z)/22:0)
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(18:1(11Z)/14:1(9Z))
PIP2(16:2(9Z,12Z)/16:0)
TG(14:1(9Z)/20:2n6/18:3(9Z,12Z,15Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/o-18:0)
TG(18:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))
Tiagabine
DG(20:1n9/0:0/18:2n6)
TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(16:1n7/0:0/20:1n9)
TG(15:0/18:3(9Z,12Z,15Z)/22:0)
TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
L-Malic acid
PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))
DG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)
DG(22:2n6/0:0/22:4n6)
PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)
3-Dehydroxycarnitine
7alpha,25-Dihydroxy-4-cholesten-3-one A cholestanoid that has formula C27H44O3.
TG(22:0/20:1(11Z)/18:3(9Z,12Z,15Z))
PE(20:3(5Z,8Z,11Z)/16:0)
PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)
TG(20:0/20:3n6/18:3(6Z,9Z,12Z))
PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
DG(18:1n9/0:0/20:4n6)
TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GQ1c (d18:1/18:1(9Z))
TG(14:1(9Z)/14:0/18:2(9Z,12Z))
LysoPC(P-16:0) A 1-O-(alk-1-enyl)-sn-glycero-3-phosphocholine in which the alk-1-enyl group contains 16 carbons and no additional double bonds.
TG(20:0/22:0/18:1(9Z))
TG(18:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
DG(20:2(11Z,14Z)/22:2(13Z,16Z)/0:0)
TG(14:1(9Z)/22:0/24:1(15Z))
TG(20:3n6/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:2n6/18:3(6Z,9Z,12Z))
PC(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
CE(20:2(6Z,9Z))
TG(20:2n6/20:3n6/20:2n6)
2-Phenyl-1,3-propanediol monocarbamate A benzene that has formula C10H13NO3.
TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]
TG(15:0/14:0/22:0)
Ganglioside GD1b (d18:1/18:1(11Z))
PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
PE(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:3(5Z,8Z,11Z)/18:0)
TG(15:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
Melilotussaponin O1
PE(18:3(9Z,12Z,15Z)/16:1(9Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
TG(18:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/20:3(5Z,8Z,11Z)/o-18:0)
Halazepam
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
S-(Hydroxymethyl)glutathione Conjugate base of S-(hydroxymethyl)glutathione.
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/24:1(15Z))
TG(18:1(11Z)/18:1(11Z)/22:1(13Z))
DG(20:4(8Z,11Z,14Z,17Z)/16:0/0:0)
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
DG(14:0/18:4(6Z,9Z,12Z,15Z)/0:0)
PIP3(18:2(9Z,12Z)/20:1(11Z))
Trichlormethiazide
DG(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(18:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:2(13Z,16Z)/22:1(13Z))
TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
PC(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Thiosulfate
TG(16:1(9Z)/22:2(13Z,16Z)/16:1(9Z))
Penbutolol
Valproic acid glucuronide
PG(16:0/22:4(7Z,10Z,13Z,16Z))
TG(14:0/18:0/14:1(9Z))
PC(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))
PC(16:0/18:3(9Z,12Z,15Z))
3,4-Dihydroxy-trans-cinnamate
TG(18:1(11Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/15:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/o-18:0)
TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
DG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PC(14:0/24:0)
TG(18:3(6Z,9Z,12Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
PC(14:0/18:1(11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Propericiazine
Nafarelin
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(18:1(11Z)/15:0/18:1(9Z))
TG(18:0/20:3(5Z,8Z,11Z)/24:0)
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(15:0/20:2n6/20:1(11Z))
TG(22:1(13Z)/14:0/20:2n6)
TG(14:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Carbachol An ammonium salt that has formula C6H15N2O2.Cl.
TG(14:1(9Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(16:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/16:0/22:1(13Z))
TG(14:1(9Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))
Urocanic acid An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.
TG(20:3n6/16:0/o-18:0)
4-ene-Valproic acid
TG(24:1(15Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
DG(16:0/0:0/16:0)
TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(20:0/20:3n6/18:1(11Z))
TG(24:0/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(15:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/22:0/18:1(9Z))
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:1(11Z))
TG(18:1(11Z)/18:0/18:1(9Z))[iso6]
TG(16:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0)
PC(22:1(13Z)/20:3(5Z,8Z,11Z))
TG(22:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/20:3(5Z,8Z,11Z)/o-18:0)
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
Isomaltose A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->6)-linkage.
TG(16:0/o-18:0/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
3beta-Hydroxypregn-5-en-20-one sulfate
PC(P-18:1(11Z)/14:0)
TG(18:1(9Z)/14:1(9Z)/22:2(13Z,16Z))
DG(18:3n6/0:0/20:4n6)
DG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0)
PC(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
3-Demethylubiquinone-9 An ubiquinone that has formula C53H80O4.
PC(P-18:1(11Z)/16:0)
TG(18:0/16:1(9Z)/22:0)
TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(20:1(11Z)/22:0/18:4(6Z,9Z,12Z,15Z))
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
TG(20:1(11Z)/18:1(9Z)/20:3n6)
PI(18:0/18:3(9Z,12Z,15Z))
TG(14:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)
TG(20:0/20:0/20:1(11Z))[iso3]
NADPH
Cetrorelix
TG(20:3n6/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/14:0/18:3(9Z,12Z,15Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
DG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(P-18:0/22:0)
3-Hydroxyanthranilic acid An aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan.
N,N-Dimethylformamide A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.
TG(15:0/o-18:0/18:0)
TG(24:0/o-18:0/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/14:0/20:4(8Z,11Z,14Z,17Z))
Leukotriene B4 A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents.
TG(18:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Lactosylceramide (d18:1/26:1(17Z))
TG(24:0/24:0/24:0)
PE(18:1(9Z)/22:2(13Z,16Z))
PC(dm18:1(11Z)/dm18:1(11Z))
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/o-18:0/22:2(13Z,16Z))
PC(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))
DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0)
TG(14:0/16:0/20:0)
TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
Cholest-5-ene A cholestanoid that has formula C27H46.
PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(P-18:1(9Z)/16:0)
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/18:3(6Z,9Z,12Z)/20:1(11Z))
TG(15:0/24:0/24:1(15Z))
TG(18:1(9Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/15:0/24:0)
Tolazamide
PC(14:1(9Z)/20:1(11Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:0/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(18:3(9Z,12Z,15Z)/15:0)
Glucosylceramide (d18:1/12:0)
LysoPC(O-18:0)
TG(24:1(15Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
DG(18:0/24:0/0:0)
PE(20:4(5Z,8Z,11Z,14Z)/18:0)
Suramin
Theobromine
TG(18:1(11Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GT1b (d18:0/25:0)
TG(24:1(15Z)/18:2(9Z,12Z)/20:3n6)
TG(14:1(9Z)/18:2(9Z,12Z)/18:1(9Z))
PC(24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))
Epirubicin
Capric acid
TG(16:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/0:0)
TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
TG(16:0/20:2n6/20:0)
Tirofiban
TG(20:3n6/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0)
TG(24:1(15Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/24:1(15Z)/20:0)
Ganglioside GQ1c (d18:0/26:0)
TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)
TG(16:1(9Z)/18:0/18:3(6Z,9Z,12Z))
TG(15:0/18:1(9Z)/o-18:0)
TG(16:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Cotinine An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.
TG(18:0/20:3(5Z,8Z,11Z)/18:1(9Z))
DG(20:1n9/0:0/20:4n6)
TG(20:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:1(11Z)/14:0)[iso6]
TG(20:0/20:3(5Z,8Z,11Z)/18:1(9Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/o-18:0)
Hexafluronium
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
TG(16:0/20:3n6/20:0)
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
DG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:1(11Z)/24:0)
TG(18:0/16:1(9Z)/18:1(11Z))
TG(20:3n6/22:0/20:4(5Z,8Z,11Z,14Z))
DG(15:0/0:0/18:1n7)
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(18:1(11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(18:0/24:0/20:3(5Z,8Z,11Z))
TG(18:0/18:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))
TG(18:3(6Z,9Z,12Z)/22:0/18:3(9Z,12Z,15Z))
Cytidine monophosphate N-acetylneuraminic acid
PIP2(18:3(9Z,12Z,15Z)/18:1(11Z))
TG(20:2n6/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
Valrubicin
PC(o-18:2(9Z,12Z)/22:0)
TG(18:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))
CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))
TG(14:0/18:2(9Z,12Z)/24:1(15Z))
PC(18:3(9Z,12Z,15Z)/P-18:1(11Z))
TG(20:0/20:0/20:4(8Z,11Z,14Z,17Z))
Cortolone-3-glucuronide
Ganglioside GD1a (d18:1/23:0)
DG(15:0/24:1(15Z)/0:0)
TG(16:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Alpha-ketoisovaleric acid
TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GQ1c (d18:0/20:0)
TG(15:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(22:0/18:2(9Z,12Z)/20:3n6)
Hydroxylansoprazole
TG(18:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
TG(18:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3n6/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(24:0/20:1(11Z)/20:2n6)
TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/14:1(9Z)/16:1(9Z))
Benzaldehyde
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:1(11Z)/20:1(11Z)/22:2(13Z,16Z))
PE(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(22:0/16:1(9Z))
PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))
TG(15:0/16:0/18:1(11Z))
TG(18:1(11Z)/18:1(9Z)/24:1(15Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GM1 (18:1/18:0)
Carglumic acid
Solifenacin
TG(16:1(9Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
DG(18:1n7/0:0/18:3n6)
TG(18:3(6Z,9Z,12Z)/24:0/o-18:0)
Terbinafine
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
5'-Hydroxypiroxicam
TG(18:2(9Z,12Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GD1b (d18:1/23:0)
Irinotecan
TG(22:4(7Z,10Z,13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
PE(18:3(6Z,9Z,12Z)/16:1(9Z))
TG(18:3(6Z,9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z))
MG(18:0e/0:0/0:0)
TG(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
N-acetyl-alpha-D-galactosamine 1-phosphate The alpha-anomer of N-acetyl-D-galactosamine 1-phosphate.
TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
2,5-Dioxopentanoate The conjugate base of 2,5-dioxopentanoic acid; major species at pH 7.3.
DG(18:1n9/0:0/18:4n3)
DG(18:3n3/0:0/22:6n3)
PC(18:1(11Z)/18:2(9Z,12Z))
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(22:1(13Z)/o-18:0/18:2(9Z,12Z))
TG(20:2n6/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(14:1(9Z)/24:0/22:4(7Z,10Z,13Z,16Z))
TG(20:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
Etoposide A furonaphthodioxole that has formula C29H32O13.
Adenosine triphosphate
TG(18:0/18:1(9Z)/20:3n6)
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
TG(16:0/20:0/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/24:0/20:1(11Z))
Propinol adenylate
TG(16:0/20:0/24:1(15Z))
TG(24:1(15Z)/22:2(13Z,16Z)/24:1(15Z))
TG(24:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/16:1(9Z)/22:2(13Z,16Z))
Ceramide (d18:1/16:0)
TG(24:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
Indolepyruvate
LysoPC(14:0) A lysophosphatidylcholine in which the remaining acyl group is specified as tetradecanoyl (myristoyl). If R1 is the acyl group and R2 is a hydrogen then the molecule is a 1-acyl-sn-glycero-3-phosphocholine. If R1 is a hydrogen and R2 is the acyl group then the molecule is a 2-acyl-sn-glycero-3-phosphocholine.
TG(20:0/o-18:0/22:2(13Z,16Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/o-18:0)
Clenbuterol
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
TG(20:3n6/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0)
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
DG(20:4(8Z,11Z,14Z,17Z)/20:0/0:0)
TG(22:1(13Z)/22:0/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))
TG(18:1(11Z)/o-18:0/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
DG(20:1(11Z)/18:1(11Z)/0:0)
LysoPE(24:1(15Z)/0:0)
TG(15:0/22:0/18:0)
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Cer(d18:0/26:0)
TG(14:1(9Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/22:2(13Z,16Z)/20:3n6)
TG(18:1(9Z)/20:0/18:1(9Z))
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
albendazole S-oxide A sulfoxide that has formula C12H15N3O3S.
TG(20:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(24:0/18:0)
TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Sulfasalazine An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.
LysoPE(0:0/22:0)
TG(20:0/22:1(13Z)/18:2(9Z,12Z))
TG(18:3(6Z,9Z,12Z)/16:0/18:4(6Z,9Z,12Z,15Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
Ceramide (d18:1/25:0)
Gliquidone
DG(18:0e/2:0/0:0)
Homovanillin
TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:2n6/18:2(9Z,12Z))
DG(18:0/20:1(11Z)/0:0)
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
PG(18:0/16:1(9Z))
SM(d18:0/24:1(15Z))
DG(18:1n7/0:0/18:1n9)
TG(20:2n6/15:0/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/18:1(11Z)/20:2n6)
TG(15:0/16:0/24:1(15Z))
DG(22:1n9/0:0/20:5n3)
TG(15:0/14:0/22:1(13Z))
PC(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3n6/18:0/22:4(7Z,10Z,13Z,16Z))
TG(20:2n6/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:0/18:3(6Z,9Z,12Z)/20:1(11Z))
TG(22:0/22:0/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)
TG(20:3(5Z,8Z,11Z)/22:0/18:2(9Z,12Z))
Methyl beta-D-glucopyranoside A beta-D-glucopyranoside having a methyl substituent at the anomeric position.
DG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
TG(20:2n6/20:1(11Z)/o-18:0)
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))
PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
12b-Hydroxy-5b-cholanoic acid
TG(24:0/20:3(5Z,8Z,11Z)/14:1(9Z))
TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso]
Felodipine The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.
TG(14:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))
TG(22:2(13Z,16Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
PIP2(16:1(9Z)/16:1(9Z))
PIP2(22:3(10Z,13Z,16Z)/16:0)
TG(18:2(9Z,12Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))
TG(18:0/16:1(9Z)/20:1(11Z))
TG(14:1(9Z)/20:0/20:2n6)
Erythromycin Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(20:1(11Z)/o-18:0/22:1(13Z))
TG(15:0/15:0/20:4(8Z,11Z,14Z,17Z))
p-Octopamine
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/24:1(15Z))
N-Acetyl-L-methionine A L-methionine derivative that is the N-acetyl derivative of L-methionine.
TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(20:2n6/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
DG(15:0/0:0/20:3n6)
TG(18:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
Apelin-13
PE(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/o-18:0/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/14:0/24:0)
PC(20:2(11Z,14Z)/18:1(11Z))
Pectin Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan.
TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Glucosylceramide (d18:1/25:0)
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:1(13Z))
Nitric oxide A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom.
1,3,12-Trihydroxycholan-24-oic acid
24-Hydroxycholesterol A 24-hydroxy steroid that has formula C27H46O2.
Acetylglycine
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:1(11Z))
Alfentanil A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position.
Dopamine Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group.
PC(24:0/20:1(11Z))
TG(14:0/18:0/22:1(13Z))
3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
Dihydrobiopterin
TG(18:3(9Z,12Z,15Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
N5-Formyl-THF
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:3n6)
TG(24:0/22:0/20:1(11Z))
Cotinine glucuronide
Pyrazinamide
TG(22:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/18:1(9Z)/20:1(11Z))
PE(P-18:1(11Z)/18:2(9Z,12Z))
TG(16:1(9Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PI(18:0/20:3(8Z,11Z,14Z))
PE(24:1(15Z)/22:2(13Z,16Z))
TG(22:0/15:0/14:1(9Z))
TG(18:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
TG(18:1(11Z)/22:1(13Z)/24:1(15Z))
TG(20:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]
Octadecanol
TG(22:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
Benzoyl glucuronide (Benzoic acid)
TG(20:1(11Z)/22:1(13Z)/20:3n6)
TG(14:1(9Z)/14:1(9Z)/16:1(9Z))
TG(24:0/22:0/18:2(9Z,12Z))
TG(20:0/16:0/16:1(9Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
PI(16:1(9Z)/18:1(11Z))
DG(15:0/0:0/20:0)
TG(20:3(5Z,8Z,11Z)/14:0/22:1(13Z))
TG(22:0/18:3(6Z,9Z,12Z)/20:2n6)
TG(24:0/16:0/20:3n6)
Amoxapine A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.
PE(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:2n6/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(20:4(5Z,8Z,11Z,14Z)/16:0/0:0)
DG(15:0/0:0/22:0)
Vapreotide
PE(18:0/22:4(7Z,10Z,13Z,16Z))
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
Eprosartan
TG(20:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Practolol
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(22:0/16:1(9Z)/20:3n6)
DG(14:1(9Z)/18:3(6Z,9Z,12Z)/0:0)
TG(22:2(13Z,16Z)/20:2n6/22:2(13Z,16Z))
DG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/18:2(9Z,12Z)/22:1(13Z))
TG(18:3(9Z,12Z,15Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:0/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:3n6)
TG(18:0/24:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
1-Pyrroline-4-hydroxy-2-carboxylate
PE(20:1(11Z)/18:2(9Z,12Z))
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)
Dyphylline An oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs.
TG(16:0/24:1(15Z)/22:1(13Z))
TG(18:1(9Z)/22:1(13Z)/18:1(9Z))
Rabeprazole A sulfoxide that has formula C18H21N3O3S.
TG(14:0/16:1(9Z)/18:1(11Z))
Ethosuximide A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures.
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Alosetron
TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/24:0/20:1(11Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))
MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)
TG(16:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/15:0/o-18:0)
TG(16:0/20:2n6/14:1(9Z))
Androstenedione
Valproic acid A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.
PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/20:2n6/20:1(11Z))
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(14:1(9Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:1(9Z))
PE(20:2(11Z,14Z)/P-18:1(9Z))
TG(20:1(11Z)/22:0/20:4(8Z,11Z,14Z,17Z))
PIP(18:2(9Z,12Z)/18:0)
TG(18:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
Captopril A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.
TG(20:2n6/24:1(15Z)/20:2n6)
TG(20:0/22:0/14:1(9Z))
TG(18:1(11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
Hydroxyzine A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.
TG(22:0/18:0/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(15:0/20:3n6/18:2(9Z,12Z))
Ganglioside GT1c (d18:1/18:1(9Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(14:1(9Z)/22:1(13Z)/20:1(11Z))
TG(18:1(11Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Mycophenolic acid O-acyl-glucuronide A carboxylic ester resulting from the formal condensation of the carboxylic acid group of mycophenolic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
TG(14:1(9Z)/14:1(9Z)/18:1(11Z))
DG(20:0/0:0/22:4n6)
DG(16:1(9Z)/24:1(15Z)/0:0)
TG(24:0/16:1(9Z)/o-18:0)
TG(22:4(7Z,10Z,13Z,16Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
DG(16:0/0:0/20:2n6)
TG(18:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(14:0/18:3(6Z,9Z,12Z))
DG(24:0/24:0/0:0)
TG(14:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(22:2(13Z,16Z)/24:1(15Z))
TG(14:0/24:0/22:4(7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(20:4(8Z,11Z,14Z,17Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/18:1(9Z)/14:1(9Z))
Bepotastine
L-2-Hydroxyglutaric acid
PE(16:0/20:2(11Z,14Z))
DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)
TG(24:1(15Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
Biperiden
TG(15:0/18:1(9Z)/14:1(9Z))
PC(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))
Ganglioside GD1a (d18:0/18:0)
TG(15:0/22:1(13Z)/20:2n6)
TG(22:0/20:1(11Z)/16:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(14:0/22:1(13Z)/18:3(9Z,12Z,15Z))
PE(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
Hydroxycelecoxib
PE(16:0/P-16:0)
Ganglioside GT3 (d18:0/20:0)
Cyclizine
TG(15:0/16:0/16:1(9Z))
PG(18:1(11Z)/20:3(5Z,8Z,11Z))
TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(20:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:1(13Z))
Difucosyllactohexaose
TG(20:0/20:0/18:1(9Z))
D-Mannose 1-phosphate A mannose phosphate that is D-mannose carrying a phosphate group at position 1.
TG(24:1(15Z)/16:0/24:1(15Z))
TG(18:0/16:1(9Z)/18:1(9Z))
PC(20:3(5Z,8Z,11Z)/15:0)
(Z)-But-1-ene-1,2,4-tricarboxylate
DG(18:1n7/0:0/24:1n9)
TG(14:1(9Z)/24:1(15Z)/16:1(9Z))
Pralidoxime A pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2.
TG(18:3(9Z,12Z,15Z)/20:1(11Z)/o-18:0)
Temazepam
TG(22:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
D-2-Hydroxyglutaric acid
TG(18:0/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(14:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
PE(20:2(11Z,14Z)/18:2(9Z,12Z))
LPA(18:0/0:0)
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PC(20:0/P-18:1(11Z))
TG(24:0/15:0/20:3n6)
TG(20:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(9Z)/24:0/18:3(6Z,9Z,12Z))
Cob(II)alamin A cobalamin in which the central cobalt atom has an oxidation state of +2.
TG(18:0/20:0/16:1(9Z))
TG(16:1(9Z)/14:0/22:2(13Z,16Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(15:0/20:4(5Z,8Z,11Z,14Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
Trihexosylceramide (d18:1/24:1(15Z))
TG(16:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:2(9Z,12Z)/16:1(9Z))
TG(20:0/18:0/24:0)
TG(16:0/14:1(9Z)/18:3(9Z,12Z,15Z))
TG(15:0/18:3(9Z,12Z,15Z)/20:2n6)
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)
TG(14:0/15:0/18:1(11Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:0)
TG(24:0/15:0/24:0)
TG(15:0/20:0/24:1(15Z))
Ganglioside GD3 (d18:0/26:0)
PC(P-16:0/22:1(13Z))
TG(20:0/22:1(13Z)/22:1(13Z))
TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:0/20:4(8Z,11Z,14Z,17Z))
DG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
5-Fluorouridine An organofluorine compound that is uridine bearing a fluoro substituent at position 5 on the uracil ring.
TG(16:1(9Z)/20:3n6/18:3(6Z,9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/20:2n6/18:4(6Z,9Z,12Z,15Z))
DG(22:2n6/0:0/20:4n3)
TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
Avenasterol
Ercalcitriol
TG(15:0/20:3(5Z,8Z,11Z)/22:1(13Z))
Quinone Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
TG(15:0/14:0/16:0)
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
5-Methyltetrahydrofolic acid A tetrahydrofolic acid that has formula C20H25N7O6.
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:1(11Z))
TG(20:3n6/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(15:0/0:0/18:3n6)
Stearidonic acid
TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
PC(18:3(9Z,12Z,15Z)/16:0)
TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)
TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]
PE(22:0/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/o-18:0)
TG(15:0/20:0/20:1(11Z))
Ganglioside GD2 (d18:1/23:0)
TG(20:3(5Z,8Z,11Z)/20:3n6/18:3(9Z,12Z,15Z))
TG(20:3n6/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/20:1(11Z)/o-18:0)
Ganglioside GD1b (d18:0/26:1(17Z))
TG(20:3n6/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/15:0/20:4(8Z,11Z,14Z,17Z))
DG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
Ganglioside GT1b (d18:1/26:1(17Z))
DG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0)
TG(16:0/20:2n6/22:2(13Z,16Z))
4-Nitrophenyl phosphate An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.
TG(22:2(13Z,16Z)/16:0/22:2(13Z,16Z))
PE(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
cis-4-Carboxymethylenebut-2-en-4-olide A 4-carboxymethylenebut-2-en-4-olide that has formula C6H4O4.
TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Elatoside I
D-Ribose 5-phosphate A ribose monophosphate that is D-ribose substituted at position 5 by a phosphate group. It is an intermediate in the pentose phosphate pathway.
TG(20:0/18:1(11Z)/24:1(15Z))
TG(20:0/18:3(9Z,12Z,15Z)/22:1(13Z))
PC(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)
TG(24:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))
Dronabinol
Quetiapine A dibenzothiazepine that has formula C21H25N3O2S.
TG(14:1(9Z)/o-18:0/22:1(13Z))
Formamidopyrimidine nucleoside triphosphate A pyrimidine ribonucleoside 5'-triphosphate that has formula C10H18N5O15P3.
TG(20:0/18:0/20:3n6)
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
PC(o-16:1(9Z)/14:1(9Z))
MG(0:0/18:3(6Z,9Z,12Z)/0:0)
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/24:1(15Z))
TG(14:0/20:2n6/24:1(15Z))
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(14:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(S)-3-Hydroxybutyric acid The S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression.
PIP(20:2(11Z,14Z)/18:2(9Z,12Z))
TG(20:2n6/14:0/20:3n6)
N-Acetylgalactosamine
Argatroban An alpha-N-substituted L-arginine that has formula C23H36N6O5S.
DG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
DG(24:0/18:0/0:0)
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/o-18:0)
Crotonoyl-CoA The (E)-isomer of but-2-enoyl-CoA.
TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(14:0/22:1(13Z)/16:0)
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(16:0/24:0/18:3(9Z,12Z,15Z))
TG(14:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:4(6Z,9Z,12Z,15Z)/14:0/0:0)
TG(20:1(11Z)/18:0/22:2(13Z,16Z))
PIP2(16:0/20:4(8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/o-18:0)
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/14:0/14:1(9Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0)
Mianserin
TG(18:2(9Z,12Z)/14:1(9Z)/18:2(9Z,12Z))
DG(18:4n3/0:0/18:4n3)
TG(14:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
Edrophonium
PE(20:2(11Z,14Z)/14:1(9Z))
TG(22:0/16:1(9Z)/16:1(9Z))
TG(24:1(15Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(24:0/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PG(18:3(9Z,12Z,15Z)/16:1(9Z))
TG(22:2(13Z,16Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/20:0/22:4(7Z,10Z,13Z,16Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:1(11Z))
TG(22:0/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
TG(16:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
TG(14:0/22:1(13Z)/14:0)
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:2(9Z,12Z)/24:0)
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
DG(15:0/24:0/0:0)
PC(o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GT1b (d18:1/18:0)
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(20:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
7,8-Dihydropteroic acid A pteroic acid derivative arising from formal hydrogenation of the 7,8-double bond of pteroic acid.
Dopamine glucuronide
Diethylpropion An aromatic ketone that is propiophenone in which one of the hydrogens alpha- to the carbonyl is substituted by a diethylamino group. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as the hydrochloride as an anoretic in the short term management of obesity.
PC(P-18:1(11Z)/16:1(9Z))
TG(18:3(9Z,12Z,15Z)/15:0/o-18:0)
Vidarabine
TG(16:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))
Ethanolamine
TG(18:0/16:1(9Z)/o-18:0)
TG(20:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))
(S)-4-Hydroxymandelonitrile A 4-hydroxymandelonitrile that has (S)-configuration.
Poly-N-acetyllactosamine An aminoglycan composed of a backbone of N-acetyllactosamine repeating units that are joined to each other via beta-(1->3)-linkages.
3-Methoxytyramine A methoxybenzene that has formula C9H13NO2.
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
Pravastatin A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin.
TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/24:0/20:1(11Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Prednisone A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.
PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
Buspirone An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the nitrogen atom.
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/18:1(9Z)/22:1(13Z))
TG(20:2n6/18:0/18:4(6Z,9Z,12Z,15Z))
PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
TG(20:0/18:0/24:1(15Z))
(S)-3-Hydroxytetradecanoyl-CoA A (S)-3-hydroxyacyl-CoA that has formula C35H62N7O18P3S.
TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
DG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)
TG(18:0/20:3n6/o-18:0)
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
Angiotensin III
TG(22:1(13Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
PE(18:2(9Z,12Z)/P-18:0)
TG(24:1(15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(22:2n6/0:0/22:5n6)
TG(20:0/24:0/24:0)
TG(24:0/24:0/18:1(9Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(14:1(9Z)/22:1(13Z))
TG(18:1(11Z)/o-18:0/18:3(6Z,9Z,12Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
DG(14:1(9Z)/24:1(15Z)/0:0)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3n6/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/16:1(9Z)/20:0)
TG(14:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))
DG(14:0/0:0/24:1n9)
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/15:0/22:4(7Z,10Z,13Z,16Z))
TG(20:0/16:1(9Z)/14:1(9Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/20:0/18:2(9Z,12Z))
TG(22:1(13Z)/14:1(9Z)/o-18:0)
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
MG(18:1(9Z)/0:0/0:0)
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/15:0/o-18:0)
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol A pyridine that has formula C10H15N3O2.
15(S)-HETE An optically active form of 15-HETE having 15(S)-configuration..
TG(14:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
DG(24:0/0:0/22:5n3)
DG(18:0/16:0/0:0)
PC(18:3(6Z,9Z,12Z)/14:0)
PE(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/24:0)
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(14:0/o-18:0/18:1(9Z))
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
LysoPC(20:3(8Z,11Z,14Z))
PE(18:0/18:1(11Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
B-Sulfinyl pyruvate
TG(14:0/18:0/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
PE(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
TG(18:0/20:3n6/18:3(6Z,9Z,12Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:0)
TG(22:0/18:1(9Z)/22:2(13Z,16Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
5'-Deoxy-5-fluorocytidine A N-glycosyl compound that has formula C9H12FN3O4.
TG(16:0/18:0/16:1(9Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(14:0/20:2n6/22:1(13Z))
DG(24:1(15Z)/18:2(9Z,12Z)/0:0)
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(14:0/0:0/22:0)
PIP(18:0/18:3(9Z,12Z,15Z))
TG(14:0/24:0/14:0)
TG(20:1(11Z)/20:2n6/20:2n6)
Ganglioside GM1 (d18:0/24:1(15Z))
TG(16:1(9Z)/16:1(9Z)/20:3n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GT1b (d18:1/18:1(11Z))
Ganglioside GT3 (d18:0/18:1(9Z))
L-Arabinose The L-enantiomer of arabinose.
Venlafaxine A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.
TG(24:0/18:1(9Z)/24:0)
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(18:1(9Z)/20:1(11Z)/18:3(6Z,9Z,12Z))
Palmitoyl glucuronide
TG(16:0/22:1(13Z)/22:2(13Z,16Z))
TG(18:0/18:3(6Z,9Z,12Z)/18:0)
TG(16:1(9Z)/15:0/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/24:0/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
PC(20:3(5Z,8Z,11Z)/P-18:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Lipoyl-GMP
TG(16:0/15:0/18:1(9Z))
LysoPE(0:0/20:3(5Z,8Z,11Z))
TG(22:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
Amantadine A member of the class of adamantanes that is used as an antiviral and antiparkinson drug.
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/20:3n6)
PIP(16:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/16:1(9Z)/16:1(9Z))
TG(16:1(9Z)/16:0/18:2(9Z,12Z))
TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
4,5-Dihydroorotic acid
Fentanyl The carboxamide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
TG(20:1(11Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
DG(16:1n7/0:0/18:3n6)
LysoPE(0:0/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))
PI(22:3(10Z,13Z,16Z)/16:0)
PC(18:0/18:3(6Z,9Z,12Z))
TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/16:0/20:3n6)
TG(15:0/16:1(9Z)/18:2(9Z,12Z))
PC(14:1(9Z)/P-18:1(11Z))
Dicloxacillin A penicillin that has formula C19H17Cl2N3O5S.
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(16:1(9Z)/18:3(6Z,9Z,12Z)/0:0)
PE(22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:0/18:0/18:1(9Z))
PE(24:0/18:3(6Z,9Z,12Z))
TG(16:0/16:0/22:1(13Z))
DG(18:1(9Z)/20:0/0:0)
Sunitinib A pyrrole that has formula C22H27FN4O2.
TG(14:0/22:2(13Z,16Z)/18:1(9Z))
Galantamine
TG(20:1(11Z)/20:3n6/20:3n6)
TG(16:0/15:0/22:1(13Z))
TG(24:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/22:1(13Z)/24:1(15Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))
TG(15:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Canavaninosuccinate
TG(22:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
N-Acetylarylamine An acetamide where at at least one of the amide hydrogens is substituted by an aryl group.
Salicylic acid A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves.
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
Saprisartan
TG(20:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:0/20:0/o-18:0)
TG(18:3(9Z,12Z,15Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(20:0/20:1(11Z))
TG(15:0/22:0/24:0)
Cefradine
PS(18:1(9Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/18:1(9Z)/24:1(15Z))
DG(18:4n3/0:0/22:6n3)
TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
Prednisolone A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.
TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
LysoPC(20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:1(11Z)/20:3n6/22:1(13Z))
TG(18:1(9Z)/24:1(15Z)/22:1(13Z))
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(20:0/0:0/22:1n9)
TG(14:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/18:1(11Z)/22:1(13Z))
PS(18:3(9Z,12Z,15Z)/14:0)
TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)
TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(22:0/15:0/18:1(9Z))
Tazarotene
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
TG(18:0/20:0/18:2(9Z,12Z))
TG(18:1(11Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:0/14:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(24:1(15Z)/20:3(5Z,8Z,11Z))
TG(15:0/20:2n6/20:0)
LysoPE(0:0/20:2(11Z,14Z))
Aminoacetone A propanone consisting of acetone having an amino group at the 1-position.
TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
DG(24:0/15:0/0:0)
TG(18:3(6Z,9Z,12Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:2n6/22:0)
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)
DG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PC(o-18:1(9Z)/20:0)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))
DG(14:0/22:2(13Z,16Z)/0:0)
TG(16:1(9Z)/20:0/16:1(9Z))
TG(14:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
1,2,3-Propanetricarboxylic acid
DG(18:1n9/0:0/18:3n6)
TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(24:0/18:1(11Z)/18:1(9Z))
TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
PC(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(22:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
3a,6a,7b-Trihydroxy-5b-cholanoic acid
TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Pterin
TG(18:2(9Z,12Z)/24:0/o-18:0)
PE(22:1(13Z)/15:0)
TG(15:0/18:3(6Z,9Z,12Z)/16:0)
TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/24:0/20:4(8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/24:0/22:2(13Z,16Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/18:0/18:1(9Z))
PE(16:0/14:0)
DG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)
TG(22:2(13Z,16Z)/22:0/o-18:0)
TG(24:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(18:1(9Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(18:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
SM(d18:1/12:0)
TG(20:3(5Z,8Z,11Z)/24:0/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
DG(14:0/22:1(13Z)/0:0)
TG(24:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Aniline A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens.
TG(20:3n6/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
2,3-Diphosphoglyceric acid
Thiamine
Ganglioside GT3 (d18:1/23:0)
PG(16:1(9Z)/18:1(11Z))
TG(22:1(13Z)/18:1(9Z)/18:3(6Z,9Z,12Z))
TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:0/22:0/20:4(5Z,8Z,11Z,14Z))
TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/15:0/18:1(11Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(18:0/P-18:0)
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/24:1(15Z))
PC(o-16:1(9Z)/18:2(9Z,12Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
TG(22:1(13Z)/24:0/20:3n6)
PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(20:2n6/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
MG(14:1(9Z)/0:0/0:0)
DG(22:1n9/0:0/24:1n9)
PC(20:4(5Z,8Z,11Z,14Z)/P-16:0)
PC(dm18:1(9Z)/dm18:1(9Z))
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Octane A straight chain alkane composed of 8 carbon atoms.
TG(16:1(9Z)/18:0/20:0)[iso6]
TG(18:1(11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:1(11Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
20-Hydroxyeicosatetraenoic acid
DG(18:1n9/0:0/20:5n3)
PE(16:1(9Z)/20:3(5Z,8Z,11Z))
TG(22:0/o-18:0/14:1(9Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
SM(d18:1/14:0)
L-Cysteine An optically active form of cysteine having L-configuration.
TG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/o-18:0)
PE(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
Molybdate A divalent inorganic anion obtained by removal of both protons from molybdic acid
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))
TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(22:0/24:1(15Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(24:0/22:0/22:1(13Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
Trihexosylceramide (d18:1/22:0)
DG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
Hydroxykynurenine
Ganglioside GT1c (d18:0/26:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/o-18:0)
Chenodeoxycholic acid glycine conjugate
PC(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
Galabiosylceramide (d18:1/16:0)
TG(22:0/22:0/22:2(13Z,16Z))
DG(14:0/18:3(6Z,9Z,12Z)/0:0)
DG(20:0/18:1(9Z)/0:0)
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
Phytosphingosine
PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(20:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(22:0/22:2(13Z,16Z)/24:1(15Z))
Doxorubicin An anthracycline antibiotic that has formula C27H29NO11.
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
TG(14:0/24:0/24:0)
PC(20:3(8Z,11Z,14Z)/P-16:0)
DG(16:1(9Z)/22:0/0:0)
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/o-18:0)
TG(14:0/16:0/18:3(9Z,12Z,15Z))
Uridine
TG(14:0/18:3(9Z,12Z,15Z)/14:1(9Z))
TG(20:1(11Z)/20:3n6/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:2n6)
Penicillamine
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
TG(16:1(9Z)/16:0/22:1(13Z))
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
PE(20:1(11Z)/16:1(9Z))
PIP2(18:1(9Z)/20:3(8Z,11Z,14Z))
TG(14:0/22:2(13Z,16Z)/18:2(9Z,12Z))
PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0)
PI(20:0/18:2(9Z,12Z))
2-Hexaprenyl-6-methoxy-1,4-benzoquinone A polyprenylbenzoquinone that has formula C37H54O3.
Methylcobalamin A cobalamin that has formula C63H91CoN13O14P.
TG(20:3(5Z,8Z,11Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)
Tartronate semialdehyde
Clomifene
CDP-DG(18:1(9Z)/18:2(9Z,12Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(16:0/18:0/18:2(9Z,12Z))[iso6]
TG(22:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/24:0/20:3(5Z,8Z,11Z))
TG(20:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/20:3(5Z,8Z,11Z)/24:0)
L-Carnitine
PI(20:2(11Z,14Z)/18:2(9Z,12Z))
Ganglioside GD3 (d18:1/9Z-18:1)
Ganglioside GD1a (d18:0/18:1(9Z))
MG(0:0/18:0/0:0)
TG(14:1(9Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
Cer(d18:1/23:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/18:0/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(9Z)/22:0/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
Orotic acid
Deoxyuridine
TG(14:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))
Ganglioside GD1a (d18:0/24:0)
PE(16:0/18:1(9Z))
TG(20:1(11Z)/22:0/20:1(11Z))
TG(24:1(15Z)/22:0/18:2(9Z,12Z))
TG(24:1(15Z)/16:0/20:4(5Z,8Z,11Z,14Z))
TG(22:2(13Z,16Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
Ribavirin A 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. An inhibitor of HCV polymerase.
TG(20:2n6/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(18:2(9Z,12Z)/18:1(9Z)/0:0)
3-O-Sulfogalactosylceramide (d18:1/24:0)
TG(15:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(16:0/20:3(8Z,11Z,14Z))
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
DL-Glutamate
PE(22:2(13Z,16Z)/22:0)
Mexiletine An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.
TG(24:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
Aluminum
PC(16:1(9Z)/18:0)
Quercetin 3-O-glucuronide
PE(22:2(13Z,16Z)/24:0)
Ganglioside GD1a (d18:0/26:0)
PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
PC(14:1(9Z)/20:2(11Z,14Z))
PC(20:2(11Z,14Z)/18:0)
DG(14:0/22:0/0:0)
TG(18:1(9Z)/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/22:0/22:2(13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/18:0/18:3(9Z,12Z,15Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(14:0/24:1(15Z)/16:0)
TG(22:2(13Z,16Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(22:0/20:0/24:1(15Z))
TG(20:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PE(22:2(13Z,16Z)/18:2(9Z,12Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Methoxyflurane
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
DG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/18:1(9Z)/20:3n6)
TG(18:0/14:1(9Z)/o-18:0)
TG(16:0/18:1(11Z)/16:0)
Bromide A monoatomic bromine that has formula Br.
TG(20:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Procaterol
TG(24:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(20:0/22:1(13Z)/24:1(15Z))
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z))
TG(14:1(9Z)/20:0/20:3n6)
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/22:0/20:3n6)
Ropivacaine The piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline.
TG(15:0/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(14:0/24:1(15Z)/14:0)
DG(18:1(9Z)/24:1(15Z)/0:0)
TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/24:1(15Z)/20:3n6)
TG(20:2n6/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
Cyclandelate
TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))
TG(24:0/18:1(9Z)/o-18:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/20:0/18:3(6Z,9Z,12Z))
TG(14:1(9Z)/16:0/16:1(9Z))
TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(22:0/20:3n6/20:3n6)
TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/14:0/24:0)
PE(22:1(13Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
Lathosterol
TG(18:2(9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/22:1(13Z)/20:1(11Z))
TG(24:0/18:1(9Z)/20:1(11Z))
Trehalose
TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
2-Phenylacetamide A monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2.
PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
CDP-DG(18:1(11Z)/18:0)
TG(18:2(9Z,12Z)/24:1(15Z)/20:2n6)
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
2-Hydroxyphytanoyl-CoA A multi-methyl-branched fatty acyl-CoA having 2-hydroxyphytanoyl as the S-acyl group.
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
TG(24:0/14:0/24:0)
TG(14:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
TG(15:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:2(9Z,12Z)/20:1(11Z)/0:0)
TG(14:0/18:1(9Z)/18:1(9Z))
DG(18:0/15:0/0:0)
TG(18:0/18:3(9Z,12Z,15Z)/24:0)
TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
S-Methylmalonyl-CoA The (S)-enantiomer of methylmalonyl-CoA.
TG(16:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(9Z,12Z,15Z)/20:0/o-18:0)
TG(14:0/18:3(9Z,12Z,15Z)/24:1(15Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
Acetylcholine
TG(20:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
PIP2(20:2(11Z,14Z)/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
PE(24:0/18:3(9Z,12Z,15Z))
Sparfloxacin
TG(22:0/18:0/18:1(11Z))
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
DG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)
PI(20:4(5Z,8Z,11Z,14Z)/18:0)
TG(20:2n6/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/14:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(20:4(5Z,8Z,11Z,14Z)/24:0/o-18:0)
Lipoamide A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of lipoic acid with ammonia.
TG(14:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))
TG(24:1(15Z)/20:3(5Z,8Z,11Z)/24:1(15Z))
TG(15:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/22:1(13Z)/24:1(15Z))
PIP2(16:0/22:4(10Z,13Z,16Z,19Z))
TG(16:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
TG(24:0/18:1(11Z)/22:1(13Z))
3a,4b,7a-Trihydroxy-5b-cholanoic acid
1b-Hydroxycholic acid
Lisinopril A dipeptide that has formula C21H31N3O5.
TG(14:0/18:1(9Z)/18:1(11Z))
TG(16:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
PC(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
DG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)
TG(16:0/16:1(9Z)/22:2(13Z,16Z))
TG(14:0/20:1(11Z)/18:3(6Z,9Z,12Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
DG(22:1(13Z)/20:3(5Z,8Z,11Z)/0:0)
TG(24:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/o-18:0/20:3(5Z,8Z,11Z))
TG(16:0/20:3n6/16:1(9Z))
PC(P-16:0/18:1(11Z))
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:2(13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/24:0/22:2(13Z,16Z))
Methylmalonyl-CoA A member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain.
TG(24:1(15Z)/22:0/20:2n6)
PIP(16:2(9Z,12Z)/16:0)
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Lactosylceramide (d18:1/18:0)
TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6]
Acetyldigitoxin
DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/20:2n6/14:1(9Z))
PC(15:0/24:1(15Z))
TG(14:0/15:0/18:0)
TG(20:4(5Z,8Z,11Z,14Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/14:0/22:4(7Z,10Z,13Z,16Z))
Cyclothiazide
TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))
Potassium An alkali metal atom that has formula K.
TG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))
CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:2n6/20:2n6/18:4(6Z,9Z,12Z,15Z))
Phenelzine
Betavulgaroside I
TG(16:0/22:0/20:4(8Z,11Z,14Z,17Z))
4-Hydroxyproline A hydroxyproline where the hydroxy group is located at the 4-position. It is found in fibrillar collagen.
TG(24:0/14:0/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
7-a,27-Dihydroxycholesterol
Pyrroline hydroxycarboxylic acid
TG(24:1(15Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
Acetyl-N-formyl-5-methoxykynurenamine
TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/20:2n6/22:0)
TG(20:0/22:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(P-18:1(11Z)/20:0)
DG(20:0/0:0/22:5n6)
PS(18:1(9Z)/14:1(9Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/15:0)
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
PE(20:2(11Z,14Z)/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(16:1(9Z)/16:0/24:1(15Z))
TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:1(9Z)/22:1(13Z)/0:0)
TG(18:1(11Z)/24:0/18:3(9Z,12Z,15Z))
12(S)-HPETE The (S)-enantiomer of 12-HPETE.
TG(14:1(9Z)/20:1(11Z)/24:1(15Z))
TG(18:1(11Z)/20:2n6/20:3n6)
N1-Methyl-4-pyridone-3-carboxamide
Zolmitriptan
TG(20:2n6/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/18:1(9Z)/18:2(9Z,12Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/20:0/22:4(7Z,10Z,13Z,16Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(15:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/15:0/22:0)
DG(15:0/0:0/22:2n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
PC(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
TG(18:1(11Z)/16:1(9Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/20:0/24:1(15Z))
TG(15:0/15:0/20:0)
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA An organic molecule that has formula C45H70N7O17P3S.
TG(20:0/18:3(6Z,9Z,12Z)/o-18:0)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
PG(18:3(9Z,12Z,15Z)/18:1(9Z))
DG(20:4(8Z,11Z,14Z,17Z)/18:0/0:0)
TG(16:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PC(P-18:1(9Z)/18:3(9Z,12Z,15Z))
5-Amino-2-oxopentanoic acid The 2-oxo-5-amino derivative of valeric acid.
TG(15:0/o-18:0/20:2n6)
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
TG(24:1(15Z)/15:0/20:4(8Z,11Z,14Z,17Z))
TG(24:0/20:1(11Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/24:0)
TG(18:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(20:3n9/0:0/18:3n3)
PE(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(22:0/22:2(13Z,16Z)/20:3n6)
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
Tetrahexosylceramide (d18:1/26:1(17Z))
Decamethonium A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents.
3a,12b-Dihydroxy-5b-cholanoic acid
TG(14:0/20:2n6/18:2(9Z,12Z))
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)
DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/24:1(15Z)/18:1(11Z))
TG(15:0/18:1(9Z)/20:0)
TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:4(8Z,11Z,14Z,17Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/o-18:0)
TG(16:0/14:0/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
TG(18:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/14:1(9Z)/20:3(5Z,8Z,11Z))
PE(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/18:1(9Z)/22:0)
TG(16:0/20:3(5Z,8Z,11Z)/24:1(15Z))
TG(24:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Ganglioside GD1a (d18:1/16:0)
PC(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
PC(20:3(5Z,8Z,11Z)/16:1(9Z))
TG(15:0/18:2(9Z,12Z)/20:2n6)
DG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)
Oxoglutaric acid
TG(18:2(9Z,12Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
PE(22:4(7Z,10Z,13Z,16Z)/24:0)
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(22:1n9/0:0/20:4n6)
TG(22:0/22:1(13Z)/20:3(5Z,8Z,11Z))
4-OH-Retinal
2-Ketobutyric acid
TG(18:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:4(7Z,10Z,13Z,16Z))
PI(20:4(5Z,8Z,11Z,14Z)/16:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)
TG(20:0/20:2n6/20:2n6)
DG(16:0/18:0/0:0)
TG(18:1(9Z)/20:3n6/18:1(9Z))
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
N-Arachidonoyl glycine Biologically active derivative of anandamide
TG(16:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
PC(15:0/18:4(6Z,9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GD1a (d18:1/14:0)
TG(15:0/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
Rizatriptan A tryptamine that has formula C15H19N5.
TG(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(20:1(11Z)/20:2n6/o-18:0)
DG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/0:0)
TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(24:0/20:2n6/24:1(15Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:0/22:1(13Z)/o-18:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
Thyroxine glucuronide
Ganglioside GM3 (d18:0/25:0)
TG(22:0/14:1(9Z)/o-18:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:2n6/22:4(7Z,10Z,13Z,16Z))
LPA(P-16:0e/0:0)
TG(14:1(9Z)/18:1(11Z)/16:1(9Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(15:0/15:0/20:3(5Z,8Z,11Z))
TG(22:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:0/14:0/20:1(11Z))
Ganglioside GT2 (d18:1/23:0)
TG(20:0/16:0/20:1(11Z))
TG(14:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/18:1(11Z)/20:1(11Z))
TG(18:1(11Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
4,8-Dimethylnonanoyl-CoA A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4,8-dimethylnonanoic acid.
TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/16:0/20:1(11Z))
Benzo[a]pyrene-7,8-diol A pyrene that has formula C20H14O2.
PC(15:0/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
Galabiosylceramide (d18:1/25:0)
Ganglioside GD1a (d18:1/24:1(15Z))
Salicyluric acid An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.
TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
PE(15:0/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
TG(20:2n6/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/18:3(6Z,9Z,12Z)/20:3n6)
TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
PE(18:1(9Z)/18:1(11Z))
TG(18:0/22:0/16:1(9Z))
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
DG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(22:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
Heptabarbital A barbiturate that has formula C13H18N2O3.
PE(P-18:1(11Z)/22:1(13Z))
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
PE(24:0/22:1(13Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/14:0/20:3n6)
TG(16:0/24:0/18:2(9Z,12Z))
TG(20:1(11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:3n6/18:1(9Z))
PC(24:1(15Z)/16:0)
PE(18:1(11Z)/24:0)
TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:3n6)
dCMP A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having cytosine as the nucleobase.
TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:2n6)
5,10-Methylene-THF
TG(14:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
SM(d19:1/24:1(15Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
7a,12b-dihydroxy-5b-Cholan-24-oic acid
TG(24:0/16:0/14:1(9Z))
TG(15:0/22:2(13Z,16Z)/14:1(9Z))
TG(18:0/14:0/18:4(6Z,9Z,12Z,15Z))
TG(14:0/14:0/22:0)
DG(24:0/0:0/18:1n7)
TG(24:0/18:0/20:3n6)
TG(24:0/18:0/18:2(9Z,12Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))
TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/o-18:0)
TG(18:2(9Z,12Z)/18:0/22:4(7Z,10Z,13Z,16Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/18:1(11Z)/22:1(13Z))
TG(14:0/14:1(9Z)/20:0)
TG(16:0/18:3(9Z,12Z,15Z)/16:1(9Z))
Prostaglandin G2 A prostaglandins G that has formula C20H32O6.
1D-Myo-inositol 3,4-bisphosphate A myo-inositol bisphosphate that has formula C6H14O12P2.
TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
2-Hydroxyestradiol-3-methyl ether
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/16:1(9Z))
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Cholic acid glucuronide
TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
3a,7a,12a-Trihydroxy-5b-cholestan-26-al
TG(20:2n6/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(20:1(11Z)/15:0/0:0)
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
DG(18:2n6/0:0/22:2n6)
TG(20:3n6/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/o-18:0)
TG(18:0/18:1(9Z)/18:1(11Z))
TG(18:2(9Z,12Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
Ganglioside GM1 (d18:0/24:0)
TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:3n6)
Glycoursodeoxycholic acid
PIP(20:3(8Z,11Z,14Z)/18:0)
PIP2(16:0/20:3(8Z,11Z,14Z))
TG(14:1(9Z)/24:0/16:1(9Z))
3-Mercaptopyruvic acid A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3.
DG(18:2n6/0:0/22:5n3)
TG(16:0/18:1(11Z)/18:1(11Z))
TG(18:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Fumaric acid A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.
2-Arachidonylglycerol
TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))
TG(24:1(15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/18:3(6Z,9Z,12Z)/18:1(11Z))
TG(18:0/22:1(13Z)/20:1(11Z))
Zuclopenthixol
TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/18:3(9Z,12Z,15Z))
DG(20:2n6/0:0/18:3n3)
TG(16:0/20:2n6/18:1(9Z))
DG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)
Palmitaldehyde
TG(18:1(9Z)/15:0/22:4(7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/16:1(9Z)/o-18:0)
PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
DG(14:0/0:0/22:5n3)
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(P-16:0/14:1(9Z))
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:3n6/18:1(9Z))
PC(15:0/18:3(9Z,12Z,15Z))
TG(14:0/18:3(6Z,9Z,12Z)/14:0)
TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/22:1(13Z)/18:1(9Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(18:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:2(9Z,12Z)/18:1(11Z)/0:0)
Cer(d18:1/18:1(11Z))
PC(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0)
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:2n6)
TG(14:0/18:2(9Z,12Z)/22:1(13Z))
TG(24:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:2(13Z,16Z))
TG(18:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z))
DG(22:1n9/0:0/22:5n3)
TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
PG(18:1(9Z)/18:2(9Z,12Z))
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/22:0/18:3(9Z,12Z,15Z))
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:1(9Z)/15:0/22:1(13Z))
TG(18:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/14:1(9Z))
3-Oxotetradecanoic acid A C14, long-chain fatty acid carrying an oxo- group at position 3.
5'-Hydroxylornoxicam
Losartan N2-glucuronide
MG(0:0/20:3(8Z,11Z,14Z)/0:0)
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/18:1(11Z)/20:2n6)
TG(22:1(13Z)/20:2n6/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(P-18:0/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
DG(22:4n6/0:0/22:6n3)
TG(18:3(6Z,9Z,12Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/16:0/18:2(9Z,12Z))[iso3]
DG(24:0/22:4(7Z,10Z,13Z,16Z)/0:0)
TG(14:0/24:0/20:3n6)
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:2(13Z,16Z))
PE(18:3(6Z,9Z,12Z)/20:1(11Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(20:3n6/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(15:0/14:0)
PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/24:0/22:2(13Z,16Z))
TG(18:1(9Z)/22:2(13Z,16Z)/22:1(13Z))
Cloxacillin A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6.
TG(24:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/20:0/18:1(11Z))
DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(18:1(11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
DG(22:1(13Z)/16:0/0:0)
Metixene A thioxanthene that has formula C20H23NS.
TG(18:3(9Z,12Z,15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(9Z)/20:3n6/20:3(5Z,8Z,11Z))
TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
TG(16:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/15:0)
DG(14:1(9Z)/18:2(9Z,12Z)/0:0)
TG(14:0/18:0/22:2(13Z,16Z))
TG(24:1(15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
DG(18:1(9Z)/22:0/0:0)
TG(18:0/18:0/22:0)
TG(20:0/16:1(9Z)/18:1(9Z))
PG(18:1(9Z)/20:3(5Z,8Z,11Z))
Cyclic pyranopterin monophosphate
PC(15:0/16:0)
TG(14:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/15:0/22:2(13Z,16Z))
5-Fluorodeoxyuridine monophosphate A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate that has formula C9H12FN2O8P.
TG(18:1(11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Norspermidine
PI(20:1(11Z)/18:1(11Z))
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/18:0/22:2(13Z,16Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
TG(20:1(11Z)/18:1(11Z)/20:2n6)
TG(18:0/20:0/20:3n6)
PE(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
3Z-dodecenoyl-CoA
3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA
Ganglioside GM2 (d18:0/16:0)
TG(20:1(11Z)/14:0/22:1(13Z))
PIP2(18:0/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/18:2(9Z,12Z)/22:1(13Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
Ganglioside GM2 (d18:1/26:1(17Z))
PC(o-22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))
Verapamil A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
Tungsten A chromium group element atom that has formula W.
TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:2(9Z,12Z)/20:2n6/22:2(13Z,16Z))
CE(24:0)
TG(18:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))[iso3]
TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
Cer(d18:1/14:0)
PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))
TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Nilutamide
PC(20:4(8Z,11Z,14Z,17Z)/20:0)
TG(20:2n6/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/16:0/o-18:0)
(S)-Hydroxyoctanoyl-CoA
TG(22:1(13Z)/20:2n6/20:3n6)
TG(20:0/20:1(11Z)/16:1(9Z))
TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(18:3n6/0:0/18:3n3)
Chloroacetic acid A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.
TG(15:0/16:0/22:4(7Z,10Z,13Z,16Z))
TG(14:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/18:0/22:4(7Z,10Z,13Z,16Z))
FADH A flavin adenine dinucleotide that has formula C27H34N9O15P2.
TG(18:0/18:3(9Z,12Z,15Z)/24:1(15Z))
PS(18:1(9Z)/18:0)
DG(18:1(9Z)/18:2(9Z,12Z)/0:0)
DG(18:2n6/0:0/20:4n3)
Trihexosylceramide (d18:1/12:0)
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
PE(18:1(9Z)/P-18:1(11Z))
PC(20:0/20:4(5Z,8Z,11Z,14Z))
(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA A 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA in which the carbon at position 25 of the steroidal side chain has R configuration.
TG(18:3(9Z,12Z,15Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(22:2(13Z,16Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
DG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
PE(18:3(9Z,12Z,15Z)/15:0)
TG(18:0/18:1(9Z)/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/18:1(9Z)/20:1(11Z))
DG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
PE(16:1(9Z)/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/16:1(9Z)/20:2n6)
DG(20:1n9/0:0/22:1n9)
TG(16:0/16:1(9Z)/18:3(9Z,12Z,15Z))
PE(P-18:1(9Z)/18:0)
TG(20:1(11Z)/20:3n6/20:2n6)
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:2n6)
Cortisone A C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20.
CE(22:0)
TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
Palmitic acid A straight-chain, sixteen-carbon, saturated long-chain fatty acid.
TG(20:3n6/16:0/20:4(8Z,11Z,14Z,17Z))
DG(16:0/0:0/20:1n9)
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
PE(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
TG(16:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/18:1(11Z)/o-18:0)
TG(18:0/20:3n6/20:1(11Z))
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:2n6)
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(22:0/18:1(9Z)/20:3n6)
DG(20:4(5Z,8Z,11Z,14Z)/18:0/0:0)
TG(16:0/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:0)
PE(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)
PC(16:1(9Z)/14:1(9Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/20:2n6/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/18:1(11Z)/o-18:0)
TG(18:1(11Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:2(13Z,16Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(20:3n6/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
PE(16:1(9Z)/24:0)
L-Threonine An optically active form of threonine having L-configuration.
Oseltamivir
TG(18:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI(16:0/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GT1b (d18:0/18:1(11Z))
5,10-Methylenetetrahydromethanopterin A tetrahydromethanopterin that has formula C31H45N6O16P.
TG(20:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
DG(20:0/22:4(7Z,10Z,13Z,16Z)/0:0)
UDP-L-rhamnose A UDP-rhamnose in which the rhamnose component has L-configuration.
TG(15:0/18:1(9Z)/18:1(11Z))
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
TG(20:3(5Z,8Z,11Z)/14:0/18:3(6Z,9Z,12Z))
Ganglioside GD2 (d18:1/9Z-18:1)
TG(18:0/22:1(13Z)/18:0)
Farnesyl pyrophosphate
TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(22:1(13Z)/20:1(11Z))
Aprindine
TG(18:1(11Z)/24:1(15Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(18:3(6Z,9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(16:1(9Z)/22:0)
TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
TG(24:0/14:0/22:1(13Z))
TG(16:0/14:0/18:0)[iso6]
TG(18:4(6Z,9Z,12Z,15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI(18:2(9Z,12Z)/18:0)
7-Methylguanine A methylguanine that is guanine substituted by a methyl group at position 7. It is a metabolite obtained during the methylation of DNA.
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/o-18:0)
Selegiline
TG(20:0/20:3n6/24:1(15Z))
TG(20:2n6/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
PC(20:0/20:3(5Z,8Z,11Z))
TG(15:0/18:2(9Z,12Z)/15:0)
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
TG(22:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:0/22:2(13Z,16Z)/18:1(11Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:0/16:1(9Z)/18:3(9Z,12Z,15Z))
TG(18:1(9Z)/18:1(11Z)/18:1(9Z))[iso3]
Fenofibrate A chlorobenzophenone that is (4-chlorophenyl)(phenyl)methanone substituted by a [2-methyl-1-oxo-1-(propan-2-yloxy)propan-2-yl]oxy group at position 1 on the phenyl ring.
Ganglioside GT1b (d18:0/18:0)
TG(14:1(9Z)/16:0/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
cis,cis-3,6-Dodecadienoyl-CoA
TG(22:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(20:3(5Z,8Z,11Z)/P-16:0)
PS(14:1(9Z)/14:1(9Z))
TG(20:3(5Z,8Z,11Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/16:0/o-18:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:0)
TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
Dimethyl sulfoxide A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.
DG(14:0/0:0/18:3n3)
TG(24:1(15Z)/18:1(11Z)/18:2(9Z,12Z))
CDP-DG(16:0/22:3(10Z,13Z,16Z))
TG(22:1(13Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))
PC(14:1(9Z)/14:1(9Z))
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
DG(20:1(11Z)/16:1(9Z)/0:0)
PE(18:4(6Z,9Z,12Z,15Z)/18:0)
DG(24:1(15Z)/18:3(6Z,9Z,12Z)/0:0)
DG(14:1(9Z)/24:0/0:0)
TG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:0)
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:0/18:3(6Z,9Z,12Z)/16:1(9Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
PC(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(P-16:0/20:4(8Z,11Z,14Z,17Z))
TG(20:0/16:1(9Z)/24:0)
Ganglioside GM3 (d18:1/24:1(15Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(14:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)
TG(22:0/16:0/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6]
TG(16:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:3n6/20:4(5Z,8Z,11Z,14Z))
DG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
TG(22:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
PC(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Tamoxifen N-oxide An N-oxide derived from tamoxifen.
TG(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))
TG(16:0/18:3(9Z,12Z,15Z)/o-18:0)
PE(18:0/P-18:1(9Z))
TG(14:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(14:0/14:0)
TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
5-Hydroxy-N-formylkynurenine An alpha-amino acid that is 5-hydroxykynurenine bearing an N-formyl substituent.
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:2n6)
TG(20:1(11Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(18:0/24:0/18:3(9Z,12Z,15Z))
DG(24:0/24:1(15Z)/0:0)
PS(18:1(9Z)/20:3(8Z,11Z,14Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
PE(P-18:0/24:1(15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
Ganglioside GT3 (d18:1/22:1(13Z))
PC(20:3(8Z,11Z,14Z)/18:0)
DG(18:2(9Z,12Z)/15:0/0:0)
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
Bendroflumethiazide A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.
PS(14:0/18:1(9Z))
TG(24:0/18:1(11Z)/20:2n6)
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:3n6)
Quinacrine
TG(24:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
Ammonia
Bevantolol A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension.
TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(18:0/18:1(9Z)/24:1(15Z))
PE(20:1(11Z)/20:2(11Z,14Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
PC(18:1(9Z)/22:2(13Z,16Z))
PC(18:4(6Z,9Z,12Z,15Z)/22:0)
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/18:2(9Z,12Z)/24:0)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:0)
Estriol
Pancuronium A steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non-depolarizing curare-mimetic muscle relaxant.
TG(18:1(11Z)/15:0/20:4(8Z,11Z,14Z,17Z))
DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)
TG(15:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
PC(20:3(8Z,11Z,14Z)/16:0)
DG(22:0/22:4(7Z,10Z,13Z,16Z)/0:0)
DG(18:2n6/0:0/18:3n3)
(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene A peptide that has formula C20H25N3O7S.
TG(24:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
DG(14:0/0:0/15:0)
Fexofenadine A piperidine-based anti-histamine compound.
TG(24:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(18:4(6Z,9Z,12Z,15Z)/24:0)
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(16:1(9Z)/o-18:0/22:1(13Z))
TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(20:0/0:0/24:1n9)
trans-3-Chloroacrylic acid
PI(16:0/22:4(10Z,13Z,16Z,19Z))
TG(16:0/16:1(9Z)/14:1(9Z))
Galabiosylceramide (d18:1/26:0)
Menaquinol Any polyprenylhydroquinone having a polyprenyl moiety at position 2 and a methyl group at position 3..
TG(15:0/16:1(9Z)/16:0)
Oxandrolone An oxa-steroid that has formula C19H30O3.
TG(14:1(9Z)/14:0/18:3(9Z,12Z,15Z))
Topaquinone An alpha-amino acid that is alanine substituted at position 3 by a 4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl group.
TG(18:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z))
TG(22:2(13Z,16Z)/20:3n6/o-18:0)
DG(18:1(9Z)/20:2(11Z,14Z)/0:0)
TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)
DG(14:1n5/0:0/20:3n6)
PE(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
DG(16:1n7/0:0/20:4n6)
TG(14:0/22:0/20:4(8Z,11Z,14Z,17Z))
Dyspropterin A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one substituted by a 2-oxopropanoyl group at position 6.
TG(18:1(9Z)/20:3n6/18:3(6Z,9Z,12Z))
beta-Alanyl-L-lysine A dipeptide consisting of beta-alanine and L-lysine units joined by a peptide linkage.
TG(18:0/18:2(9Z,12Z)/22:0)
TG(14:0/18:2(9Z,12Z)/16:1(9Z))
TG(22:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
Ganglioside GD2 (d18:0/14:0)
PIP(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(14:0/22:2(13Z,16Z)/18:0)
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Acetazolamide A thiadiazole that has formula C4H6N4O3S2.
DG(18:0/18:1(9Z)/0:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))
PE(P-18:1(11Z)/20:2(11Z,14Z))
PE(20:0/P-18:1(9Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:0)
PE(18:1(11Z)/24:1(15Z))
TG(20:1(11Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
(24R)-24,25-Dihydroxycalciol A seco-cholestane that has formula C27H44O3.
N-Acetylvaline
Chondroitin sulfate Any of a class of 10--60 kDa glycosaminoglycan sulfates, widely distributed in cartilage and other mammalian connective tissues.
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/24:0/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Ethanolamine Oleate
11-Hydroxyprogesterone 11-glucuronide
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:2(9Z,12Z)/18:1(9Z))
Deoxycholic acid disulfate
TG(18:1(9Z)/22:1(13Z)/o-18:0)
TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
SM(d18:0/22:2(13Z,16Z)(OH))
TG(18:1(9Z)/18:1(9Z)/22:1(13Z))[iso3]
DG(22:0/24:0/0:0)
TG(16:1(9Z)/22:2(13Z,16Z)/22:2(13Z,16Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
TG(18:1(11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))
DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6]
TG(20:1(11Z)/22:1(13Z)/20:3(5Z,8Z,11Z))
TG(22:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Quinine A cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy.
DG(20:4(5Z,8Z,11Z,14Z)/15:0/0:0)
dTDP-D-glucose A dTDP-alpha-D-glucose that has formula C16H26N2O16P2.
PI(16:0/18:1(9Z))
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
Levofloxacin An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase
dIDP
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))
5a-Pregnane-3,20-dione
L-Isoleucine The L-enantiomer of isoleucine.
TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:0)
TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
DG(20:0/0:0/16:1n7)
TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Methylarsonate An organoarsonic acid anion that has formula CH3AsO3.
TG(18:1(11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
PIP2(16:0/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:2n6)
10-Formyltetrahydrofolate
TG(20:1(11Z)/18:1(11Z)/20:1(11Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:0)
DG(22:0/0:0/22:5n3)
TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/o-18:0)
Acetic acid A simple monocarboxylic acid containing two carbons.
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid A dioxo monocarboxylic acid that has formula C10H9NO5.
TG(22:0/20:3(5Z,8Z,11Z)/24:1(15Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(20:0/24:1(15Z))
TG(14:1(9Z)/o-18:0/20:3n6)
TG(18:1(9Z)/18:0/20:1(11Z))
PC(20:0/22:0)
Nalidixic Acid A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively.
Cocaine A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.
PE(P-16:0/18:3(9Z,12Z,15Z))
TG(22:0/20:3(5Z,8Z,11Z)/16:1(9Z))
TG(18:0/20:0/22:1(13Z))
TG(20:2n6/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Phosphorylcholine
TG(20:0/18:2(9Z,12Z)/22:1(13Z))
Zaleplon A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position.
DG(14:1n5/0:0/16:1n7)
PC(24:0/22:1(13Z))
TG(16:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))
PC(P-16:0/20:3(5Z,8Z,11Z))
TG(15:0/14:0/14:1(9Z))
TG(16:0/18:2(9Z,12Z)/24:1(15Z))
TG(22:4(7Z,10Z,13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))
TG(22:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(20:3n6/15:0/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/18:0/24:1(15Z))
TG(18:1(11Z)/24:1(15Z)/22:1(13Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
Formic acid
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
D-Xylono-1,5-lactone A xylonolactone that has formula C5H8O5.
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)
TG(18:1(11Z)/16:0/22:1(13Z))
PC(20:4(5Z,8Z,11Z,14Z)/20:0)
TG(15:0/20:1(11Z)/o-18:0)
TG(20:3n6/15:0/20:4(8Z,11Z,14Z,17Z))
TG(22:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/16:0/18:3(6Z,9Z,12Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(15:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(22:4(7Z,10Z,13Z,16Z)/14:0)
Fructose 1-phosphate A ketohexose monophosphate consisting of fructose having a phosphate group located at the 1-position
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
Dextrin
TG(14:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GM2 (d18:0/25:0)
TG(18:1(11Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/16:1(9Z)/o-18:0)
TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/20:1(11Z)/20:3n6)
TG(15:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(14:1(9Z)/22:2(13Z,16Z)/24:1(15Z))
TG(24:1(15Z)/18:0/20:4(5Z,8Z,11Z,14Z))
PIP2(18:1(11Z)/18:1(9Z))
Flurazepam
11-cis-Retinaldehyde
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
TG(14:1(9Z)/14:1(9Z)/22:1(13Z))
TG(20:0/15:0/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(22:0/15:0/18:3(9Z,12Z,15Z))
PE(18:0/16:1(9Z))
PE(22:2(13Z,16Z)/14:1(9Z))
PE(20:0/18:1(9Z))
5'-Phosphoribosyl-N-formylglycinamide
TG(18:1(11Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:3n6/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PIP2(22:2(13Z,16Z)/16:0)
TG(14:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Isoursodeoxycholic acid A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by beta-hydroxy groups at positions 3 and 7.
PG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Estriol-3-glucuronide
TG(20:2n6/22:1(13Z)/22:2(13Z,16Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:4(7Z,10Z,13Z,16Z)/16:0)
TG(16:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
DG(18:0/18:0/0:0)
TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(14:0/20:3n6/20:3(5Z,8Z,11Z))
Dextrothyroxine
TG(14:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
TG(22:2(13Z,16Z)/18:0/o-18:0)
TG(20:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
DG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)
TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
Dihydroergotamine Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.
TG(24:1(15Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(22:0/18:0/24:0)
TG(18:3(6Z,9Z,12Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/22:0/18:1(9Z))
TG(15:0/20:3n6/20:3n6)
TG(20:0/18:3(9Z,12Z,15Z)/14:1(9Z))
TG(15:0/22:0/18:4(6Z,9Z,12Z,15Z))
Glycogen A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues.
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(14:0/22:1(13Z)/18:1(11Z))
PC(16:1(9Z)/20:0)
Glyciram
TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/16:1(9Z)/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)
TG(16:0/20:3n6/20:2n6)
DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/0:0)
TG(14:0/o-18:0/18:3(6Z,9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:2(13Z,16Z))
TG(14:1(9Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))
TG(22:0/18:0/22:0)
PC(P-18:1(9Z)/20:3(8Z,11Z,14Z))
PIP2(20:1(11Z)/18:1(9Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
PC(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/18:3(6Z,9Z,12Z)/o-18:0)
TG(18:1(11Z)/20:2n6/20:2n6)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
Rolitetracycline A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.
PE(20:2(11Z,14Z)/18:1(9Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:2(13Z,16Z)/20:2(11Z,14Z))
TG(18:1(9Z)/16:0/18:1(9Z))
Histamine Phosphate A phosphate salt that is the diphosphate salt of histamine.
TG(18:1(9Z)/20:3n6/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PS(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/20:4(8Z,11Z,14Z,17Z))
TG(15:0/18:3(6Z,9Z,12Z)/24:0)
Ganglioside GQ1c (d18:1/12:0)
TG(18:3(9Z,12Z,15Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Ganglioside GQ1c (d18:1/26:1(17Z))
TG(22:1(13Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
5-(methylthio)-2,3-Dioxopentyl phosphate
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(15:0/18:3(6Z,9Z,12Z)/22:0)
1-Methoxypyrene A pyrene that has formula C17H12O.
TG(18:0/o-18:0/18:2(9Z,12Z))
DG(20:0/18:2(9Z,12Z)/0:0)
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
Phenprocoumon
TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(20:1(11Z)/18:1(11Z))
TG(24:1(15Z)/24:1(15Z)/22:2(13Z,16Z))
TG(16:1(9Z)/20:0/18:3(6Z,9Z,12Z))
Thiethylperazine
TG(22:0/18:2(9Z,12Z)/16:1(9Z))
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
Ganglioside GT1c (d18:0/14:0)
PE(22:2(13Z,16Z)/22:1(13Z))
LysoPC(22:5(4Z,7Z,10Z,13Z,16Z))
Galactosylsphingosine
TG(16:0/18:0/24:0)
TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/o-18:0)
Efavirenz
TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)
TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:2n6/14:0/20:4(5Z,8Z,11Z,14Z))
Pyrrolidonecarboxylic acid
TG(15:0/18:2(9Z,12Z)/20:3n6)
TG(14:1(9Z)/22:1(13Z)/18:1(9Z))
LysoPE(0:0/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/16:1(9Z)/24:1(15Z))
TG(16:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))
TG(14:0/18:3(6Z,9Z,12Z)/24:0)
TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/20:3(5Z,8Z,11Z)/15:0)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(20:3n6/14:0/20:4(5Z,8Z,11Z,14Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(24:1(15Z)/22:0/o-18:0)
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
DG(16:0/0:0/22:4n6)
PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(14:0/15:0/0:0)
TG(14:0/20:0/18:1(11Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
Digoxin Digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.
DG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
CE(14:1(9Z))
SM(d18:1/22:0)
DG(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
SM(d18:0/18:1(9Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:0/o-18:0)
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
PI(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
TG(15:0/20:3n6/18:1(9Z))
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
SM(d18:1/20:0)
TG(18:1(11Z)/20:0/o-18:0)
TG(18:3(9Z,12Z,15Z)/20:3n6/o-18:0)
TG(20:3n6/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
Cer(d18:0/24:1(15Z))
DG(22:0/18:3(9Z,12Z,15Z)/0:0)
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/20:3n6/20:2n6)
TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:0/18:1(9Z)/20:0)
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/o-18:0)
TG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/o-18:0)
DG(14:1n5/0:0/22:2n6)
TG(18:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/24:1(15Z))
TG(20:0/18:1(9Z)/22:0)
TG(14:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3n6/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:3n6)
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))
TG(14:1(9Z)/22:0/22:2(13Z,16Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
3-Oxohexadecanoyl-CoA
3-O-Sulfogalactosylceramide (d18:1/14:0)
TG(24:0/18:0/18:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:1(11Z)/20:0)
Hydrogen cyanide A hydracid that has formula CHN.
TG(20:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(14:0/14:0/0:0)
PG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/24:1(15Z)/20:3n6)
3-O-Sulfogalactosylceramide (d18:1/12:0)
TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6/o-18:0)
TG(24:0/14:0/14:1(9Z))
TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/18:0/20:2n6)
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:0/18:3(6Z,9Z,12Z))
DG(18:1n7/0:0/20:5n3)
TG(18:1(11Z)/20:3n6/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:1(11Z)/22:0)
PC(dm18:1(11Z)/dm18:1(9Z))
TG(16:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(14:0/20:3(8Z,11Z,14Z))
Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol Conjugate base of beta-D-mannosyldiacetylchitobiosyldiphosphodolichol.
Thymine A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.
TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(14:0/22:0/20:4(5Z,8Z,11Z,14Z))
Procainamide 4-Aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.
TG(14:1(9Z)/20:3n6/20:1(11Z))
5a-Cholesta-8,24-dien-3-one
PC(20:2(11Z,14Z)/16:1(9Z))
TG(20:1(11Z)/20:2n6/18:3(6Z,9Z,12Z))
TG(24:0/16:0/24:1(15Z))
TG(16:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(24:0/P-18:0)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
Ganglioside GD1b (d18:0/25:0)
Guanosine A purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond.
PIP(18:0/20:3(8Z,11Z,14Z))
TG(20:0/20:0/22:1(13Z))
TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
PC(22:1(13Z)/20:0)
TG(18:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:2n6)
Galabiosylceramide (d18:1/24:1(15Z))
2,5-Dichloro-carboxymethylenebut-2-en-4-olide A butenolide that has formula C6H2Cl2O4.
TG(18:0/22:0/18:1(11Z))
TG(24:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(15:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:0/18:3(6Z,9Z,12Z)/20:2n6)
Ganglioside GA1 (d18:1/24:1(15Z))
TG(18:2(9Z,12Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))
PC(14:0/20:2(11Z,14Z))
PC(14:1(9Z)/18:0)
PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))
TG(24:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/14:1(9Z)/18:2(9Z,12Z))
TG(16:0/18:1(11Z)/o-18:0)
TG(20:1(11Z)/18:1(9Z)/22:1(13Z))
TG(14:0/18:3(9Z,12Z,15Z)/15:0)
TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3]
TG(16:0/22:0/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:3n6/20:1(11Z))
TG(20:0/18:3(6Z,9Z,12Z)/20:3n6)
PC(20:3(5Z,8Z,11Z)/P-18:1(11Z))
TG(24:0/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
TG(14:0/16:0/22:1(13Z))
PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:1(9Z)/14:1(9Z))
TG(24:0/20:3(5Z,8Z,11Z)/o-18:0)
TG(14:0/20:2n6/18:1(9Z))
Cadmium A zinc group element atom that has formula Cd.
TG(22:2(13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Ethyl p-anisate
Famotidine A guanidine that has formula C8H15N7O2S3.
Ganglioside GD3 (d18:1/23:0)
TG(15:0/18:3(6Z,9Z,12Z)/16:1(9Z))
TG(20:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/14:1(9Z)/20:2n6)
TG(18:0/18:0/18:1(9Z))[iso3]
TG(22:1(13Z)/18:0/20:4(8Z,11Z,14Z,17Z))
3,7-Dihydroxy-12-oxocholanoic acid
TG(20:0/20:1(11Z)/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/20:1(11Z)/24:1(15Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))
TG(24:1(15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Fe2+
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
PC(14:1(9Z)/18:2(9Z,12Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)
TG(18:4(6Z,9Z,12Z,15Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/16:1(9Z)/20:3n6)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/o-18:0)
PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/22:1(13Z)/24:1(15Z))
TG(16:1(9Z)/22:1(13Z)/18:3(6Z,9Z,12Z))
DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
MG(0:0/16:0/0:0)
TG(24:1(15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(18:1(11Z)/20:3(8Z,11Z,14Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
MG(0:0/16:1(9Z)/0:0)
TG(16:0/18:3(6Z,9Z,12Z)/24:0)
TG(15:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/18:1(9Z)/20:1(11Z))[iso6]
Keratan
PE(18:2(9Z,12Z)/22:2(13Z,16Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:2n6)
TG(20:0/18:2(9Z,12Z)/20:3n6)
TG(18:1(11Z)/22:0/18:4(6Z,9Z,12Z,15Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
Sodium Tetradecyl Sulfate
TG(20:0/20:2n6/20:4(5Z,8Z,11Z,14Z))
6-(alpha-D-Glucosaminyl)-1D-myo-inositol A D-glucosaminide consisting of 2-aminoglucosamine attached to 1D-myo-inositol at the 6-position via an alpha-linkage.
Ganglioside GT1c (d18:1/14:0)
TG(24:0/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/16:0/20:3(5Z,8Z,11Z))
Ganglioside GT1c (d18:1/16:0)
TG(15:0/22:0/14:1(9Z))
Episterol A 9xi-episterol that has formula C28H46O.
LysoPE(16:0/0:0)
TG(15:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/18:1(11Z)/20:1(11Z))
TG(20:3n6/18:2(9Z,12Z)/22:2(13Z,16Z))
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
Xanthosine 5-triphosphate
7a-Hydroxy-cholestene-3-one
TG(16:0/24:0/18:3(6Z,9Z,12Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/16:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:1(11Z)/15:0/18:3(9Z,12Z,15Z))
TG(24:0/18:0/20:1(11Z))
TG(14:1(9Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/16:0/14:1(9Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(o-18:1(9Z)/18:1(11Z))
TG(22:1(13Z)/24:1(15Z)/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3]
TG(20:0/16:1(9Z)/24:1(15Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/24:1(15Z)/18:2(9Z,12Z))
TG(18:3(9Z,12Z,15Z)/22:0/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(15:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
TG(16:0/20:0/16:1(9Z))
TG(20:2n6/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
6-Mercaptopurine ribonucleoside triphosphate An organic molecule that has formula C10H15N4O13P3S.
6-Thioxanthine 5'-monophosphate An organic molecule that has formula C10H13N4O8PS.
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2(11Z,14Z))[iso3]
TG(15:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Agomelatine
Glutarylglycine
TG(20:0/20:3n6/18:1(9Z))
Ganglioside GM3 (d18:0/26:0)
TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)
Glyburide An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.
TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:0/15:0/20:3n6)
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:2n6)
5-Carboxy-2-pentenoyl-CoA A polyol that has formula C27H42N7O19P3S.
TG(20:0/20:1(11Z)/14:1(9Z))
TG(24:0/20:0/18:1(9Z))
TG(18:2(9Z,12Z)/20:1(11Z)/20:2n6)
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/22:1(13Z)/22:0)
PC(24:0/P-16:0)
Stachyose A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose.
trans-Dodec-2-enoic acid
Dobutamine A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))
Pyridoxal 5'-phosphate The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
Cysteamine
TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)
Vindesine
TG(20:0/15:0/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
DG(24:1(15Z)/24:0/0:0)
TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(14:0/18:1(9Z)/o-18:0)
Nicotinamide ribotide
TG(18:2(9Z,12Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/24:1(15Z)/o-18:0)
TG(18:1(9Z)/20:3n6/20:2n6)
TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:2n6)
PS(18:3(9Z,12Z,15Z)/18:0)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)
L-Kynurenine A kynurenine that has L configuration.
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/20:1(11Z)/18:1(11Z))
TG(15:0/20:0/20:4(5Z,8Z,11Z,14Z))
Uroporphyrinogen I An uroporphyrinogen that has formula C40H44N4O16.
TG(18:0/15:0/18:0)
TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/o-18:0)
TG(18:1(11Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
PI(20:1(11Z)/18:1(9Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))
TG(24:0/18:3(6Z,9Z,12Z)/20:3n6)
TG(16:0/22:0/20:0)
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
Diazoxide A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.
TG(16:0/20:3(5Z,8Z,11Z)/22:1(13Z))
TG(18:0/16:0/18:1(11Z))[iso6]
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3n6)
TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/20:3(5Z,8Z,11Z)/20:3n6)
Lithocholic acid A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.
TG(24:1(15Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/20:0/20:2n6)
PIP(20:4(5Z,8Z,11Z,14Z)/16:0)
CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:1(9Z))
TG(20:3(5Z,8Z,11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/14:0/18:3(6Z,9Z,12Z))
TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
PC(P-18:1(11Z)/18:3(6Z,9Z,12Z))
DG(22:2(13Z,16Z)/20:0/0:0)
TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
TG(14:1(9Z)/24:1(15Z)/22:1(13Z))
TG(20:0/o-18:0/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/22:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/o-18:0/24:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
Ganglioside GT1c (d18:0/22:1(13Z))
PIP(18:1(11Z)/18:1(11Z))
TG(15:0/20:2n6/18:4(6Z,9Z,12Z,15Z))
PC(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/22:1(13Z)/o-18:0)
TG(22:0/18:1(9Z)/24:0)
TG(15:0/18:3(9Z,12Z,15Z)/22:1(13Z))
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/18:1(9Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/o-18:0)
DG(18:3(6Z,9Z,12Z)/18:0/0:0)
TG(16:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
Tolmetin
TG(18:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/18:1(11Z)/18:2(9Z,12Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(18:1(11Z)/18:1(11Z)/20:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PE(20:3(8Z,11Z,14Z)/P-16:0)
TG(24:0/22:0/18:4(6Z,9Z,12Z,15Z))
PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:1(9Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
2-Chloromaleylacetate An organochlorine compound that has formula C6H5ClO5.
TG(18:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
5-Amino-6-(5'-phosphoribitylamino)uracil
Ganglioside GT3 (d18:1/18:1(9Z))
Pelargonic acid
PC(o-18:0/18:2(9Z,12Z))
1,5-Anhydrosorbitol
PE(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/24:0)
TG(22:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Leukotriene E4 A leukotriene that has formula C23H37NO5S.
DG(14:0/18:3(9Z,12Z,15Z)/0:0)
TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(22:0/0:0/20:1n9)
TG(20:2n6/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/14:0/o-18:0)
TG(16:0/24:0/20:1(11Z))
TG(20:3n6/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:2n6)
TG(18:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
TG(18:0/16:0/18:3(9Z,12Z,15Z))[iso6]
TG(16:0/22:2(13Z,16Z)/14:1(9Z))
TG(22:0/22:2(13Z,16Z)/20:2n6)
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
DG(14:0/0:0/18:1n7)
TG(18:1(9Z)/22:2(13Z,16Z)/20:2n6)
PC(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
Antazoline
TG(16:0/18:1(11Z)/24:1(15Z))
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/24:0/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/15:0/20:2n6)
TG(24:1(15Z)/20:1(11Z)/24:1(15Z))
TG(16:1(9Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
Piperacillin A penicillin that has formula C23H27N5O7S.
TG(20:2n6/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:2n6/24:1(15Z))
TG(18:1(9Z)/24:1(15Z)/20:1(11Z))
TG(20:3n6/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/16:0/20:4(8Z,11Z,14Z,17Z))
(S)-2,3-Epoxysqualene A squalene triterpenoid formed by epoxidation across the 2,3 C=C bond
dADP A purine 2'-deoxyribonucleoside 5'-diphosphate having adenine as the nucleobase.
PE(14:1(9Z)/24:0)
DG(22:0/0:0/20:3n9)
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/14:0/24:1(15Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(22:2(13Z,16Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/24:0/20:4(8Z,11Z,14Z,17Z))
DG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:1(11Z))
TG(18:1(9Z)/20:2n6/20:2n6)
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
Ganglioside GM2 (d18:1/23:0)
TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(18:0/o-18:0/22:4(7Z,10Z,13Z,16Z))
TG(18:0/15:0/18:3(6Z,9Z,12Z))
Xylometazoline
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(16:1(9Z)/P-18:0)
TG(24:1(15Z)/20:0/24:1(15Z))
TG(18:3(6Z,9Z,12Z)/20:0/18:3(9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))
DG(14:1n5/0:0/20:1n9)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/24:0/o-18:0)
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/22:0/18:0)
TG(22:1(13Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(20:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
TG(18:2(9Z,12Z)/22:1(13Z)/22:2(13Z,16Z))
TG(18:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))
TG(22:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/14:1(9Z)/18:3(6Z,9Z,12Z))
PE(14:0/20:2(11Z,14Z))
TG(20:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/24:1(15Z)/20:1(11Z))
TG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
Tacrine
TG(16:0/16:0/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/14:0/20:0)
L-Arginine An L-alpha-amino acid that is the L-isomer of arginine.
TG(20:3(5Z,8Z,11Z)/20:2n6/18:3(6Z,9Z,12Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
PC(16:0/14:1(9Z))
PE(14:1(9Z)/22:0)
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:2n6)
DG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)
TG(22:1(13Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/22:0/20:3n6)
Estrone-2,3-quinone
TG(15:0/18:3(6Z,9Z,12Z)/o-18:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(16:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(15:0/16:1(9Z))
TG(16:0/20:1(11Z)/16:1(9Z))
TG(15:0/o-18:0/18:3(9Z,12Z,15Z))
DG(20:3(5Z,8Z,11Z)/24:0/0:0)
DG(22:0/18:4(6Z,9Z,12Z,15Z)/0:0)
TG(18:1(11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(20:2(11Z,14Z)/20:0)
Nilvadipine
TG(20:0/18:0/16:1(9Z))
Galactosylceramide (d18:1/20:0)
TG(18:0/18:0/20:2n6)
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/18:2(9Z,12Z)/16:1(9Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:4(7Z,10Z,13Z,16Z))
PC(22:2(13Z,16Z)/18:1(9Z))
PE(24:1(15Z)/16:0)
Tacrolimus
TG(14:1(9Z)/16:1(9Z)/22:1(13Z))
TG(18:2(9Z,12Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Tolcapone
4-Acetamidobutanoic acid An N-acylamino acid resulting from the monoacetylation of the nitrogen of GABA.
TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/o-18:0)
TG(16:0/14:0/24:1(15Z))
PC(24:1(15Z)/22:2(13Z,16Z))
TG(14:0/14:0/20:4(8Z,11Z,14Z,17Z))
PC(o-22:2(13Z,16Z)/20:2(11Z,14Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:0/14:0/18:3(9Z,12Z,15Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
DG(20:3(8Z,11Z,14Z)/24:0/0:0)
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
TG(22:0/18:1(11Z)/14:1(9Z))
DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(18:2(9Z,12Z)/22:1(13Z)/20:2n6)
TG(14:1(9Z)/20:3n6/18:3(9Z,12Z,15Z))
TG(20:0/24:1(15Z)/24:0)
Myoinositol An inositol having myo- configuration.
Ergotamine A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.
PE(24:1(15Z)/14:0)
TG(18:0/24:0/18:1(11Z))
TG(14:0/18:3(9Z,12Z,15Z)/20:2n6)
D-1,5-Anhydrofructose
PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))
TG(22:0/24:0/16:1(9Z))
PE(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/15:0/22:2(13Z,16Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(16:0/20:2n6/18:1(11Z))
Ortho-Hydroxyphenylacetic acid
TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(20:0/15:0/24:0)
TG(20:3n6/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PI(20:1(11Z)/18:2(9Z,12Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
PI(18:1(11Z)/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/14:0/18:2(9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
TG(18:3(9Z,12Z,15Z)/22:0/o-18:0)
PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/22:2(13Z,16Z)/20:3n6)
TG(18:1(11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0)
Tyramine glucuronide
TG(20:2n6/20:3n6/20:3n6)
LysoPE(18:3(6Z,9Z,12Z)/0:0)
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
Selenophosphate A trivalent inorganic anion obtained by removal of all three protons from selenophosphoric acid.
Etonogestrel
TG(20:2n6/18:3(9Z,12Z,15Z)/20:2n6)
PEP-16:0/18:1(11Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/24:1(15Z))
TG(16:0/14:0/22:2(13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/o-18:0)
TG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
CE(20:4(5Z,8Z,11Z,14Z)
TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/o-18:0/20:1(11Z))
Benzoyl-CoA An aroyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of benzoic acid.
Cidofovir
TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/20:0/o-18:0)
TG(16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
TG(20:1(11Z)/14:0/20:2n6)
TG(22:1(13Z)/20:3n6/20:3n6)
PC(15:0/20:1(11Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
PG(18:2(9Z,12Z)/16:1(9Z))
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
TG(22:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:3n6/20:2n6)
PE(18:0/20:3(5Z,8Z,11Z))
TG(14:0/14:0/22:4(7Z,10Z,13Z,16Z))
TG(22:0/16:1(9Z)/22:2(13Z,16Z))
Alpha-Lactose The alpha-anomer of lactose.
DG(18:1(11Z)/14:0/0:0)
PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(8Z,11Z,14Z,17Z)/24:0/20:4(8Z,11Z,14Z,17Z))
Maprotiline
PG(16:0/18:3(9Z,12Z,15Z))
DG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/0:0)
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
3-Oxodecanoyl-CoA An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxodecanoic acid.
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(16:0/22:4(7Z,10Z,13Z,16Z))
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0)
PIP2(18:1(9Z)/18:3(6Z,9Z,12Z))
Ganglioside GT1b (d18:1/24:0)
TG(16:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
TG(14:0/16:1(9Z)/20:0)
TG(20:3n6/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:2n6)
CoA-[4'-phosphopantetheine]
Allochenodeoxycholic acid A cholanoid that has formula C24H40O4.
DG(20:4n6/0:0/22:5n6)
Ganglioside GT1b (d18:1/26:0)
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/14:0/18:3(9Z,12Z,15Z))
PIP2(16:0/16:1(9Z))
TG(22:0/14:1(9Z)/24:1(15Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
TG(24:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/24:0/18:3(6Z,9Z,12Z))
TG(14:1(9Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/18:0/18:4(6Z,9Z,12Z,15Z))
TG(22:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
Ganglioside GM2 (d18:1/22:1(13Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
16a-Hydroxyestrone
TG(24:0/20:0/22:4(7Z,10Z,13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/18:0/18:4(6Z,9Z,12Z,15Z))
PIP(16:0/18:2(9Z,12Z))
TG(20:2n6/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Dantron
TG(24:0/20:0/24:1(15Z))
TG(20:1(11Z)/18:1(9Z)/20:2n6)
PE(16:1(9Z)/15:0)
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
Thiamine pyrophosphate
TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
N-Acetyl-b-glucosaminylamine
TG(16:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/16:0/22:4(7Z,10Z,13Z,16Z))
PE(20:1(11Z)/14:1(9Z))
TG(15:0/14:1(9Z)/18:3(6Z,9Z,12Z))
16a-Hydroxydehydroisoandrosterone
TG(18:1(9Z)/20:3(5Z,8Z,11Z)/18:1(9Z))
PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
LysoPC(20:4(5Z,8Z,11Z,14Z))
TG(16:0/16:0/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
PE(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
TG(16:0/o-18:0/14:1(9Z))
TG(15:0/16:0/18:3(6Z,9Z,12Z))
DG(22:2n6/0:0/22:6n3)
TG(22:0/14:1(9Z)/20:1(11Z))
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(20:1(11Z)/18:0/18:3(9Z,12Z,15Z))
TG(18:3(9Z,12Z,15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:0/22:1(13Z)/18:2(9Z,12Z))
S-aminomethyldihydrolipoamide
TG(20:0/22:2(13Z,16Z)/22:2(13Z,16Z))
TG(16:0/18:3(9Z,12Z,15Z)/18:0)
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:0/16:0/18:2(9Z,12Z))
TG(24:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
Carbetocin Oxytocin in which the hydrogen on the phenolic hydroxy group is substituted by methyl, the amino group on the cysteine residue is substituted by hydrogen, and the sulfur of the cysteine residue is replaced by a methylene group. A synthetic carba-analogue of oxytocin, it is used to control bleeding after giving birth. Like oxytocin, it causes contraction of the uterus.
TG(15:0/14:1(9Z)/18:1(9Z))
TG(18:2(9Z,12Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
PE(P-18:1(9Z)/24:1(15Z))
TG(15:0/15:0/o-18:0)
PC(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]
PC(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/14:0/20:4(5Z,8Z,11Z,14Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(16:0/16:0/o-18:0)
PA(16:0/16:0)
TG(18:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/18:1(11Z)/14:1(9Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0)
Tetrahydropteroyltri-L-glutamate
TG(22:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
11b,21-Dihydroxy-5b-pregnane-3,20-dione
TG(20:0/18:3(6Z,9Z,12Z)/20:1(11Z))
Dabigatran etexilate
TG(18:1(11Z)/o-18:0/20:3(5Z,8Z,11Z))
CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/18:1(9Z))
PIP2(18:1(9Z)/16:0)
TG(20:3n6/o-18:0/20:3n6)
TG(18:3(9Z,12Z,15Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/o-18:0/20:3(5Z,8Z,11Z))
TG(16:0/20:3(5Z,8Z,11Z)/16:1(9Z))
Nisoldipine
PC(18:1(11Z)/P-18:1(9Z))
TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
3 beta-Hydroxy-5-cholestenoate
Isobutanol An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2.
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/16:0/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
TG(20:3(5Z,8Z,11Z)/o-18:0/20:2n6)
PIP(18:2(9Z,12Z)/18:2(9Z,12Z))
2-trans,6-trans-Farnesal A farnesal that has formula C15H24O.
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:1(13Z))
4'-Hydroxydiclofenac An monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac.
TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
Aspirin
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
PIP2(18:1(9Z)/20:1(11Z))
TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(16:1(9Z)/20:2n6/20:2n6)
PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:1(11Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:0)
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
TG(18:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(o-16:0/18:0)
TG(22:0/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/20:0/22:2(13Z,16Z))
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(16:0/18:1(11Z)/14:1(9Z))
TG(20:2n6/18:0/22:2(13Z,16Z))
Thiopental A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
5-Hydroxyconiferyl alcohol A methoxybenzene that has formula C10H12O4.
TG(20:2n6/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
Glucosylceramide (d18:1/9Z-18:1)
PE(16:1(9Z)/P-18:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(15:0/20:3(5Z,8Z,11Z)/0:0)
DG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)
PC(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PC(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/15:0/20:4(8Z,11Z,14Z,17Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Octanal A fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).
19-Hydroxyandrost-4-ene-3,17-dione A 19-hydroxy steroid that has formula C19H26O3.
Leflunomide A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.
TG(22:2(13Z,16Z)/22:1(13Z)/o-18:0)
TG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
Glucose 1-phosphate
TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))
TG(15:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
PC(18:2(9Z,12Z)/22:1(13Z))
PIP(18:2(9Z,12Z)/16:0)
CL(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)
TG(14:0/24:1(15Z)/22:0)
TG(14:0/22:0/18:1(11Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(22:0/24:0/22:4(7Z,10Z,13Z,16Z))
TG(18:0/22:0/18:1(9Z))
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/22:2(13Z,16Z)/16:0)
TG(18:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
Oxaprozin
TG(18:1(11Z)/18:1(9Z)/22:2(13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/22:2(13Z,16Z)/20:1(11Z))
PS(18:0/14:1(9Z))
TG(18:0/22:0/18:4(6Z,9Z,12Z,15Z))
TG(22:0/18:1(11Z)/20:3n6)
PC(24:0/24:1(15Z))
TG(18:1(9Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)
TG(22:0/18:3(6Z,9Z,12Z)/o-18:0)
TG(18:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
PE(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PIP2(18:1(11Z)/18:1(11Z))
TG(15:0/20:3n6/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/24:0/20:3(5Z,8Z,11Z))
TG(18:3(6Z,9Z,12Z)/14:0/22:2(13Z,16Z))
Indole-5,6-quinone An indoledione that has formula C8H5NO2.
2,5-Diaminopyrimidine nucleoside triphosphate
TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/20:0/20:3n6)
TG(24:1(15Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:0/16:1(9Z))
Levallorphan
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
O-acetyl-ADP-ribose
TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Hexacarboxylporphyrin I
TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(22:0/20:1(11Z)/18:1(9Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:2(13Z,16Z)/18:1(11Z))
TG(24:0/18:1(9Z)/18:3(9Z,12Z,15Z))
DG(16:1n7/0:0/20:5n3)
TG(20:2n6/14:0/20:2n6)
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(20:0/18:0/20:2n6)
DG(14:0/0:0/16:1n7)
TG(24:0/18:3(9Z,12Z,15Z)/24:1(15Z))
TG(16:0/18:2(9Z,12Z)/18:1(11Z))
TG(18:0/15:0/16:1(9Z))
PC(o-14:0/16:1(9Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:1(9Z)/18:1(9Z))[iso3]
TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
Fosamprenavir
DG(18:1n9/0:0/22:2n6)
TG(16:1(9Z)/20:2n6/18:3(6Z,9Z,12Z))
TG(20:3n6/16:0/18:3(9Z,12Z,15Z))
TG(20:3n6/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
Pentanoyl-CoA A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentanoic acid.
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))
PIP(20:1(11Z)/18:1(9Z))
TG(14:0/18:1(9Z)/22:0)
N-Methylputrescine An N-monosubstituted putrescine where the N-substituent is methyl.
DG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(14:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/14:1(9Z)/18:1(11Z))
TG(18:4(6Z,9Z,12Z,15Z)/15:0/18:4(6Z,9Z,12Z,15Z))
DG(20:3(8Z,11Z,14Z)/14:1(9Z)/0:0)
TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
PC(15:0/P-18:1(11Z))
TG(16:1(9Z)/22:0/20:2n6)
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
DG(18:1n9/0:0/22:5n3)
Memantine
TG(14:1(9Z)/14:0/18:1(9Z))
TG(14:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/22:0/22:2(13Z,16Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:0)
TG(15:0/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:0/o-18:0)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(15:0/22:2(13Z,16Z)/20:2n6)
TG(14:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(24:0/20:2n6/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/18:0/22:1(13Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/18:3(9Z,12Z,15Z))
PE(20:0/22:1(13Z))
5-Dehydroavenasterol A steroid that has formula C29H46O.
DG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
DG(22:2(13Z,16Z)/20:1(11Z)/0:0)
TG(20:2n6/o-18:0/22:2(13Z,16Z))
PC(20:3(8Z,11Z,14Z)/15:0)
TG(16:0/20:2n6/18:0)
TG(16:0/14:1(9Z)/22:2(13Z,16Z))
PC(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:1(11Z)/o-18:0)
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
(9S,10S)-9,10-dihydroxyoctadecanoate Conjugate base of (9S,10S)-9,10-dihydroxyoctadecanoic acid.
TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
Fomepizole A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.
L-Sorbose The L enantiomer of sorbose, a ketone-containing hexose (a six-carbon monosaccharide).
TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(24:0/22:2(13Z,16Z)/14:1(9Z))
TG(15:0/o-18:0/16:0)
TG(18:1(9Z)/22:2(13Z,16Z)/18:1(9Z))
PC(P-16:0/16:1(9Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Riboflavin reduced
PC(o-18:1(11Z)/16:0)
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
3a,7a,12a-Trihydroxy-5b-cholestanoic acid
TG(14:0/24:1(15Z)/18:1(9Z))
TG(20:3(5Z,8Z,11Z)/24:0/18:3(9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
Tetracosatetraenoyl CoA
PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
PE(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)
TG(14:0/24:0/18:2(9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:0/o-18:0)
Ceramide (d18:1/22:0)
TG(24:0/22:0/20:3n6)
TG(16:1(9Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
LysoPC(22:4(7Z,10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:0/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/14:1(9Z)/18:2(9Z,12Z))
TG(22:0/14:1(9Z)/20:2n6)
Ceramide (d18:1/20:0)
Cinoxacin
(S)-Succinyldihydrolipoamide
PE(24:1(15Z)/P-18:0)
TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]
TG(22:0/18:3(6Z,9Z,12Z)/20:1(11Z))
TG(18:3(9Z,12Z,15Z)/24:1(15Z)/o-18:0)
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(22:0/20:3n6/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/o-18:0/20:3n6)
cis-Acetylacrylate
PS(14:0/18:0)
TG(24:1(15Z)/22:0/18:3(9Z,12Z,15Z))
PE(20:0/14:0)
TG(24:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(20:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
Kaempferol 3-glucuronide
DG(24:1(15Z)/18:1(9Z)/0:0)
TG(20:2n6/18:0/o-18:0)
Vardenafil The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.
Protoanemonin A butenolide that has formula C5H4O2.
PE(18:2(9Z,12Z)/P-18:1(9Z))
TG(18:3(6Z,9Z,12Z)/16:0/22:2(13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PC(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(16:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))
TG(15:0/16:0/22:0)
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(22:0/24:1(15Z)/22:0)
Ketorolac
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
PC(20:1(11Z)/P-16:0)
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(18:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:0/18:3(6Z,9Z,12Z))
Angiotensin II
TG(22:0/15:0/20:3n6)
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
TG(24:1(15Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
TG(22:0/22:2(13Z,16Z)/22:0)
PE(24:1(15Z)/P-16:0)
TG(16:0/14:0/16:0)[iso3]
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
Oxtriphylline
PC(16:1(9Z)/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:2(13Z,16Z))
Ceftibuten
PC(18:2(9Z,12Z)/14:0)
Farnesol
TG(15:0/14:1(9Z)/20:1(11Z))
TG(20:0/18:3(6Z,9Z,12Z)/20:2n6)
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(22:0/16:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/24:1(15Z)/o-18:0)
TG(14:0/14:1(9Z)/14:1(9Z))
1-Hydroxyphenanthrene
TG(14:1(9Z)/24:0/o-18:0)
TG(24:0/14:1(9Z)/20:3n6)
TG(20:1(11Z)/24:0/22:1(13Z))
TG(22:0/18:0/20:3n6)
TG(20:3n6/20:3n6/20:3n6)
Ixabepilone
DG(18:3(6Z,9Z,12Z)/14:1(9Z)/0:0)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)
DG(18:0/22:2(13Z,16Z)/0:0)
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:1(9Z)/16:0)
TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
TG(20:3n6/20:3n6/22:2(13Z,16Z))
Tamoxifen A stilbenoid that has formula C26H29NO.
TG(18:1(11Z)/20:1(11Z)/o-18:0)
TG(15:0/22:1(13Z)/22:0)
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(14:1(9Z)/16:0/20:2n6)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:0)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/22:0/18:3(6Z,9Z,12Z))
PE(18:1(9Z)/18:1(9Z))
DG(22:0/20:2(11Z,14Z)/0:0)
TG(20:2n6/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:0/22:4(7Z,10Z,13Z,16Z))
PE(18:1(9Z)/22:1(13Z))
Glycerol A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups.
4-Coumaryl alcohol
Naltrexone An organic heteropentacyclic compound that is 4,5-epoxymorphinan-6-one substituted by a cyclopropylmethyl group at position 17 and hydroxy groups at positions 3 and 14. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.
TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
TG(14:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/24:1(15Z))
Ganglioside GD1a (d18:1/22:0)
TG(22:0/22:2(13Z,16Z)/16:1(9Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Mesoridazine
TG(20:3n6/15:0/o-18:0)
TG(22:2(13Z,16Z)/22:0/18:3(9Z,12Z,15Z))
DG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
PIP(18:1(9Z)/18:2(9Z,12Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)
PE(18:1(11Z)/P-18:1(11Z))
TG(20:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
Treprostinil
Troleandomycin
TG(18:0/20:1(11Z)/18:1(9Z))
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)
PIP(18:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/18:1(9Z)/o-18:0)
TG(20:0/20:1(11Z)/18:1(9Z))
Selenium A chalcogen that has formula Se.
TG(20:2n6/20:2n6/20:2n6)
Uridine 5'-monophosphate
TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
PC(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
TG(20:0/24:1(15Z)/22:1(13Z))
TG(22:0/18:3(6Z,9Z,12Z)/14:1(9Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
PC(o-18:0/20:4(8Z,11Z,14Z,17Z))
PE(18:3(6Z,9Z,12Z)/14:1(9Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
1,6-Dimethoxypyrene A pyrene that has formula C18H14O2.
TG(24:1(15Z)/18:1(11Z)/24:1(15Z))
TG(24:1(15Z)/20:0/22:2(13Z,16Z))
TG(20:3n6/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Cefotaxime A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.
TG(20:3n6/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:0/18:2(9Z,12Z)/16:1(9Z))
Brinzolamide
TG(18:1(9Z)/22:0/20:1(11Z))
TG(14:0/16:0/24:1(15Z))
DG(24:0/20:2(11Z,14Z)/0:0)
TG(20:4(5Z,8Z,11Z,14Z)/20:0/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(14:0/24:0/18:4(6Z,9Z,12Z,15Z))
TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]
TG(20:1(11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
Ganglioside GT1c (d18:1/24:1(15Z))
TG(24:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
TG(18:0/18:0/14:1(9Z))
Galabiosylceramide (d18:1/26:1(17Z))
TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(20:4(8Z,11Z,14Z,17Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/14:1(9Z)/20:3n6)
TG(18:1(9Z)/20:1(11Z)/20:3n6)
1-Butanol
TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
DG(16:0/0:0/20:3n6)
DG(14:0/0:0/22:4n6)
Arachidic acid A C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications.
TG(14:1(9Z)/20:1(11Z)/20:3n6)
PC(18:1(11Z)/16:1(9Z))
PE(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
Chondroitin D-glucuronate A mucopolysaccharide composed of repeating beta-D-glucopyranuronosyl-(1->3)-beta-D-N-acetylgalactosaminyl units.
Vanylglycol
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
PC(P-16:0/16:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Sulfamethizole
LysoPC(15:0) An acyl-sn-glycero-3-phosphocholine in which the acyl group contains fifteen carbons with no double bonds and is attached to the glycero moiety at either position 1 or 2.
PE(22:0/22:2(13Z,16Z))
PI(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
TG(22:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/18:2(9Z,12Z)/24:0)
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
Inositol 1,3,4-trisphosphate
PC(P-16:0/14:0)
TG(14:0/20:0/18:0)
TG(24:1(15Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
Ganglioside GA2 (d18:1/12:0)
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))
PC(16:0/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
1-Hexanol
TG(22:1(13Z)/15:0/22:4(7Z,10Z,13Z,16Z))
Ethacrynic acid
trans-4-Carboxymethylenebut-2-en-4-olide A 4-carboxymethylenebut-2-en-4-olide that has formula C6H4O4.
TG(20:3(5Z,8Z,11Z)/16:0/22:2(13Z,16Z))
Cephalosporin C A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.
Aminophylline
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)
PC(22:2(13Z,16Z)/15:0)
Heptanoic acid
Nicardipine
TG(20:4(5Z,8Z,11Z,14Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:1(9Z)/o-18:0)
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
Thiamine monophosphate
PIP2(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))
TG(15:0/22:0/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/20:1(11Z)/18:2(9Z,12Z))
PC(20:2(11Z,14Z)/14:1(9Z))
TG(20:1(11Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/20:2n6/14:1(9Z))
PE(18:1(11Z)/14:0)
TG(20:0/20:3(5Z,8Z,11Z)/20:2n6)
DG(16:0/0:0/14:1n5)
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
TG(15:0/20:0/16:0)
TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:0/24:1(15Z)/24:0)
TG(24:0/16:0/24:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(dm16:0/dm16:0)
TG(18:0/16:0/20:1(11Z))
TG(14:1(9Z)/18:1(11Z)/24:1(15Z))
S-(1,2-Dichlorovinyl)glutathione A peptide that has formula C12H17Cl2N3O6S.
PG(18:0/20:4(5Z,8Z,11Z,14Z))
DG(16:1n7/0:0/18:3n3)
TG(20:3(5Z,8Z,11Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/o-18:0)
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Bimatoprost
TG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/o-18:0)
TG(16:0/22:1(13Z)/18:1(11Z))
PC(18:3(9Z,12Z,15Z)/18:1(9Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/0:0)
PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(20:3n6/18:0/20:3n6)
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z))
TG(18:0/o-18:0/20:0)
TG(20:0/18:3(6Z,9Z,12Z)/24:1(15Z))
7 alpha,24-Dihydroxy-4-cholesten-3-one
TG(20:4(8Z,11Z,14Z,17Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
Baclofen A monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant.
Ganglioside GM1 (d18:1/26:1(17Z)))
PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
Epiandrosterone A 3beta-hydroxy steroid that is (5alpha)-androstane substituted by a beta-hydroxy group at position 3 and an oxo group at position 17.
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:2(13Z,16Z))
TG(24:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/15:0/18:3(9Z,12Z,15Z))
TG(15:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:3n6/20:0)
TG(20:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:1(15Z)/24:1(15Z)/24:1(15Z))
TG(20:2n6/15:0/22:2(13Z,16Z))
TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/20:3(5Z,8Z,11Z)/14:1(9Z))
Arecoline A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.
PC(24:0/18:4(6Z,9Z,12Z,15Z))
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/20:3n6/o-18:0)
TG(24:1(15Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(20:0/15:0/o-18:0)
TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(24:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/22:2(13Z,16Z)/20:3n6)
TG(18:0/o-18:0/22:0)
TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Malic acid A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.
TG(22:1(13Z)/15:0/20:3n6)
TG(18:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
Raloxifene A benzothiophene that has formula C28H27NO4S.
TG(18:1(11Z)/14:1(9Z)/20:3n6)
TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)
TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/14:0/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(24:1(15Z)/15:0/o-18:0)
8,11,14-Eicosatrienoic acid
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
CE(20:5(5Z,8Z,11Z,14Z,17Z) A cholesterol ester obtained by the formal condensation of cholesterol with all-cis-5,8,11,14,17-icosapentaenoic acid.
TG(22:1(13Z)/22:0/18:2(9Z,12Z))
TG(22:1(13Z)/18:0/20:3n6)
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(22:1(13Z)/18:3(6Z,9Z,12Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/24:0/22:2(13Z,16Z))
DG(20:0/0:0/24:0)
TG(20:3(5Z,8Z,11Z)/22:0/20:4(5Z,8Z,11Z,14Z))
TG(24:1(15Z)/18:3(6Z,9Z,12Z)/20:3n6)
DG(20:0/0:0/22:6n3)
DG(18:1n9/0:0/18:3n3)
PC(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:1(13Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/14:0/22:2(13Z,16Z))
TG(15:0/20:2n6/20:3(5Z,8Z,11Z))
Pyruvic acid A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.
TG(24:0/15:0/20:3(5Z,8Z,11Z))
TG(14:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GT2 (d18:0/24:1(15Z))
2,3-Butanediol
TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)
TG(18:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/16:0/18:2(9Z,12Z))
Indoleacetaldehyde An aldehyde that is acetaldehyde substituted by an indolyl group.
Ethotoin
TG(22:2(13Z,16Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/14:1(9Z)/18:3(6Z,9Z,12Z))
Tetrahydrocortisol A glucocorticoid that has formula C21H34O5.
TG(24:0/22:0/18:3(6Z,9Z,12Z))
Niclosamide
3b,7b,12a-Trihydroxy-5a-Cholanoic acid
TG(15:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
Beta-D-Glucose D-Glucopyranose with beta configuration at the anomeric centre.
TG(16:0/18:3(9Z,12Z,15Z)/14:1(9Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(15:0/20:1(11Z)/18:1(11Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)
Streptomycin A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class
Ganglioside GT3 (d18:0/23:0)
TG(14:0/22:2(13Z,16Z)/14:0)
TG(24:0/20:3(5Z,8Z,11Z)/20:2n6)
TG(20:0/18:1(9Z)/14:1(9Z))
TG(24:1(15Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/14:0/18:4(6Z,9Z,12Z,15Z))
Mometasone A chlorinated steroid that has formula C22H28Cl2O4.
TG(15:0/20:2n6/14:1(9Z))
TG(14:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z))
PC(18:1(9Z)/18:1(9Z))
TG(20:1(11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))
7a-Hydroxy-3-oxo-5b-cholanoic acid
Cholesteryl acetate A cholesterol ester obtained by formal acylation of the hydroxy group of cholesterol by acetic acid.
TG(16:1(9Z)/20:0/18:4(6Z,9Z,12Z,15Z))
TG(16:0/18:3(9Z,12Z,15Z)/24:0)
TG(18:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:1(13Z)/20:1(11Z))
TG(22:2(13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
PC(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))
PC(20:2(11Z,14Z)/20:1(11Z))
PC(18:4(6Z,9Z,12Z,15Z)/18:0)
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
PIP2(18:3(9Z,12Z,15Z)/18:1(9Z))
PE(14:1(9Z)/16:1(9Z))
TG(18:0/18:1(11Z)/22:1(13Z))
DG(15:0/20:2(11Z,14Z)/0:0)
TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
TG(18:1(11Z)/16:1(9Z)/22:1(13Z))
TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:2(13Z,16Z))
TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(20:1(11Z)/20:0/o-18:0)
(S)-b-aminoisobutyric acid
TG(18:3(6Z,9Z,12Z)/15:0/18:3(9Z,12Z,15Z))
TG(22:0/16:0/14:1(9Z))
TG(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))
TG(18:0/24:0/18:2(9Z,12Z))
TG(24:0/22:0/18:1(11Z))
DG(16:0/15:0/0:0)
TG(20:3(5Z,8Z,11Z)/16:0/20:4(8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/15:0/o-18:0)
PE(18:1(9Z)/P-18:0)
TG(18:2(9Z,12Z)/22:1(13Z)/20:3n6)
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) A steroid glucosiduronic acid that has formula C24H31O11S.
TG(20:3(5Z,8Z,11Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/14:0/20:3n6)
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(14:1(9Z)/18:1(9Z)/o-18:0)
PC(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(14:0/18:1(11Z)/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(22:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/22:1(13Z)/18:1(11Z))
TG(20:3(5Z,8Z,11Z)/o-18:0/22:1(13Z))
TG(20:2n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
DG(22:0/20:1(11Z)/0:0)
TG(18:1(11Z)/15:0/24:1(15Z))
DG(22:1(13Z)/18:1(9Z)/0:0)
TG(18:1(11Z)/22:2(13Z,16Z)/22:1(13Z))
TG(18:0/16:1(9Z)/20:3(5Z,8Z,11Z))
DG(20:1(11Z)/24:1(15Z)/0:0)
DG(18:3(9Z,12Z,15Z)/24:0/0:0)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
Arsenic trioxide
TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
CE(22:4(7Z,10Z,13Z,16Z)
PE(18:0/P-16:0)
TG(20:1(11Z)/20:0/22:4(7Z,10Z,13Z,16Z))
DG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
DG(20:0/20:1(11Z)/0:0)
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/14:1(9Z)/14:0)
Ganglioside GD1b (d18:1/24:1(15Z))
TG(14:1(9Z)/24:0/18:1(11Z))
TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/22:1(13Z)/o-18:0)
TG(14:0/18:3(9Z,12Z,15Z)/20:0)
TG(24:0/20:1(11Z)/20:1(11Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
PE(22:0/20:3(5Z,8Z,11Z))
TG(16:0/18:1(9Z)/24:1(15Z))
TG(14:1(9Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))
TG(22:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GA2 (d18:1/25:0)
TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(24:1(15Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:0/20:0)
DG(22:2(13Z,16Z)/14:1(9Z)/0:0)
TG(14:0/14:1(9Z)/16:0)
dTDP-D-galactose The D-enantiomer of dTDP-galactose.
TG(15:0/16:0/15:0)
PE(18:0/20:2(11Z,14Z))
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(24:0/15:0/24:1(15Z))
TG(18:1(9Z)/14:1(9Z)/18:2(9Z,12Z))
TG(15:0/20:3n6/22:0)
DG(20:4(5Z,8Z,11Z,14Z)/22:0/0:0)
Allolithocholic acid
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)
DG(20:3(5Z,8Z,11Z)/16:1(9Z)/0:0)
Ciprofloxacin A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.
TG(18:0/20:3(5Z,8Z,11Z)/20:1(11Z))
SM(d18:0/12:0)
TG(20:2n6/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
PE(22:0/18:1(9Z))
PC(o-16:0/20:0)
TG(20:3(5Z,8Z,11Z)/15:0/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/16:0/22:1(13Z))
Pentolinium
TG(18:2(9Z,12Z)/24:1(15Z)/20:3n6)
TG(14:0/18:1(9Z)/15:0)
PC(20:3(8Z,11Z,14Z)/P-18:0)
L-Gulonolactone
TG(20:1(11Z)/16:0/18:2(9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:0/18:2(9Z,12Z)/18:1(11Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0)
TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/20:3(5Z,8Z,11Z)/24:0)
TG(18:0/20:2n6/20:2n6)
TG(18:2(9Z,12Z)/24:0/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/20:3n6/20:3(5Z,8Z,11Z))
3a,7a-Dihydroxy-5b-cholestan-26-al
N-Acetylmuramoyl-Ala
S-Acetyldihydrolipoamide
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/20:0/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/o-18:0)
DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/0:0)
TG(16:1(9Z)/15:0/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/18:1(9Z)/16:0)[iso6]
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(16:0/18:3(9Z,12Z,15Z)/0:0)
TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PIP2(18:2(9Z,12Z)/18:1(11Z))
TG(14:0/18:1(11Z)/24:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)
Isovalerylglycine
PC(14:0/P-18:1(11Z))
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
PE(18:1(9Z)/14:0)
TG(18:1(11Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/18:1(9Z)/20:2(11Z,14Z))[iso3]
TG(16:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
SN-38 A pyranoindolizinoquinoline that has formula C22H20N2O5.
1-Nitro-5,6-dihydroxy-dihydronaphthalene A nitronaphthalene that has formula C10H9NO4.
TG(16:1(9Z)/20:1(11Z)/22:1(13Z))
PE(18:1(9Z)/16:0)
DG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(20:2n6/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/18:0/22:1(13Z))
Glisoxepide
Nafcillin A penicillin that has formula C21H22N2O5S.
N-Acetyl-L-aspartic acid An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/16:0)
TG(14:0/22:1(13Z)/18:0)
TG(18:0/18:0/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
PC(20:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/16:0/20:1(11Z))[iso3]
Dapiprazole
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(9Z))
TG(22:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
TG(22:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PC(16:1(9Z)/16:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1-Deoxynojirimycin
TG(22:0/24:1(15Z)/20:3n6)
TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
Quinoline-4,8-diol A dihydroxyquinoline that has formula C9H7NO2.
TG(24:0/22:1(13Z)/20:3(5Z,8Z,11Z))
TG(22:1(13Z)/18:1(11Z)/22:1(13Z))
TG(20:3(5Z,8Z,11Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/18:1(11Z)/20:0)
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)
TG(14:0/20:4(5Z,8Z,11Z,14Z)/16:0)
TG(20:2n6/20:2n6/20:4(5Z,8Z,11Z,14Z))
Rimonabant
TG(14:1(9Z)/24:1(15Z)/18:1(9Z))
Cer(d18:1/22:1(13Z))
TG(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(24:1(15Z)/P-18:1(11Z))
TG(22:0/16:1(9Z)/18:3(6Z,9Z,12Z))
PIP2(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/20:3n6/22:0)
Trans-Hexa-dec-2-enoic acid
TG(20:1(11Z)/15:0/20:1(11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PE(22:1(13Z)/18:3(9Z,12Z,15Z))
TG(24:0/18:3(9Z,12Z,15Z)/14:1(9Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)
PIP2(20:1(11Z)/18:1(11Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/o-18:0)
TG(16:0/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0)
TG(18:3(6Z,9Z,12Z)/24:1(15Z)/o-18:0)
TG(20:1(11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:1(13Z))
Ganglioside GM1 (d18:1/18:1(11Z))
Ganglioside GQ1c (d18:1/22:0)
TG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
Cefdinir A cephalosporin compound having 7beta-2-(2-amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino- and 3-vinyl side groups.
PIP2(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))
PS(18:2(9Z,12Z)/18:2(9Z,12Z))
PC(16:0/20:3(8Z,11Z,14Z))
Tryptamine An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position.
PC(20:4(8Z,11Z,14Z,17Z)/14:0)
TG(22:1(13Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
N-desmethylimatinib
TG(22:1(13Z)/16:0/o-18:0)
TG(22:1(13Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))
N-Methyl-D-aspartic acid An aspartic acid derivative having an N-methyl substituent and D-configuration.
PE(18:3(6Z,9Z,12Z)/20:0)
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(11Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/0:0)
TG(18:2(9Z,12Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/16:1(9Z)/20:0)[iso3]
PE(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:2(13Z,16Z)/22:2(13Z,16Z))
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
TG(18:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
LysoPE(18:0/0:0)
Flavoxate A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol.
Oxprenolol
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Nandrolone A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17.
TG(16:0/22:0/14:1(9Z))
5-O-Desmethyldonepezil
TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
TG(14:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/16:0/22:1(13Z))
PC(18:2(9Z,12Z)/20:2(11Z,14Z))
PC(22:2(13Z,16Z)/14:1(9Z))
PC(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(20:3(8Z,11Z,14Z)/14:1(9Z))
TG(22:1(13Z)/18:1(9Z)/24:1(15Z))
PE(18:3(6Z,9Z,12Z)/22:0)
PE(22:0/22:0)
TG(16:1(9Z)/24:0/20:4(5Z,8Z,11Z,14Z))
PE(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:3(6Z,9Z,12Z))
TG(24:1(15Z)/14:1(9Z)/18:2(9Z,12Z))
Dihydroxyacetone Phosphate Acyl Ester A glycerone 3-phosphate having an unspecified O-acyl substituent at the 1-position.
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/24:1(15Z))
TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/18:3(6Z,9Z,12Z)/o-18:0)
Ganglioside GT3 (d18:0/18:0)
Ganglioside GM1 (d18:1/22:1(13Z))
Loratadine
PC(o-22:1(13Z)/22:2(13Z,16Z))
TG(20:1(11Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:1(11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/24:0/22:0)
TG(18:1(11Z)/14:1(9Z)/22:1(13Z))
TG(16:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
17-Hydroxyprogesterone
TG(24:0/20:2n6/20:1(11Z))
TG(16:0/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(15:0/18:0/18:2(9Z,12Z))[iso6]
TG(22:1(13Z)/24:0/20:2n6)
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/14:1(9Z)/20:1(11Z))
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/20:0/20:1(11Z))
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
PE(24:0/22:4(7Z,10Z,13Z,16Z))
PC(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(15:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
Isoflurane An organofluorine compound that has formula C3H2ClF5O.
CE(20:3(8Z,11Z,14Z))
TG(22:1(13Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/20:2n6)
TG(18:1(9Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/22:1(13Z)/o-18:0)
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
DG(24:0/0:0/20:5n3)
1,1-Dichloroethylene epoxide An epoxide that has formula C2H2Cl2O.
TG(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:0)
CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
5-Methoxytryptamine
TG(15:0/18:0/22:2(13Z,16Z))
TG(14:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(20:0/20:2n6/20:3n6)
Citalopram aldehyde A benzene that has formula C18H14FNO2.
PE(18:2(9Z,12Z)/16:1(9Z))
Presqualene diphosphate A triterpenyl phosphate that has formula C30H52O7P2.
TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(14:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(18:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
Coproporphyrinogen I A coproporphyrinogen that has formula C36H44N4O8.
TG(15:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/16:0/20:4(5Z,8Z,11Z,14Z))
TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
DG(18:1(11Z)/16:0/0:0)
TG(18:0/14:0/22:4(7Z,10Z,13Z,16Z))
TG(18:0/20:3(5Z,8Z,11Z)/20:3n6)
TG(20:2n6/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
4,4-Dimethyl-5-alpha-cholest-7-en-3-beta-ol A cholestanoid that is 5alpha-cholest-7-ene substituted by a beta-hydroxy group at position 3 and two methyl groups at position 4.
TG(18:1(11Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
LysoPE(18:1(11Z)/0:0)
TG(18:1(11Z)/15:0/18:1(11Z))
PC(o-24:0/18:3(6Z,9Z,12Z))
LysoPE(22:1(13Z)/0:0)
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Oxycodone An organic heteropentacyclic compound that has formula C18H21NO4.
TG(14:1(9Z)/24:1(15Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/22:0/20:3n6)
TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:0/22:4(7Z,10Z,13Z,16Z))
PIP2(16:1(9Z)/18:0)
TG(14:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:2(9Z,12Z)/22:2(13Z,16Z))
DG(20:3n9/0:0/18:3n6)
TG(16:0/20:1(11Z)/24:1(15Z))
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
TG(20:2n6/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/16:0/20:3n6)
TG(14:0/16:0/20:2n6)
TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Cilazapril
PE(24:1(15Z)/24:0)
TG(24:1(15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
CDP-DG(18:1(9Z)/16:0)
2-Phenylethanol glucuronide
TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
LysoPC(20:1(11Z))
O-Deethylated candesartan
TG(15:0/18:1(9Z)/24:1(15Z))
PE(24:1(15Z)/22:0)
Zymosterol intermediate 2 A 3-oxo steroid that has formula C27H42O.
PE(16:0/24:0)
TG(18:1(9Z)/20:2n6/22:1(13Z))
4-Hydroxyandrostenedione glucuronide
Nandrolone decanoate A steroid ester that has formula C28H44O3.
PC(18:0/P-18:1(9Z))
TG(14:0/18:1(11Z)/14:0)
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/14:0/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:1(9Z)/24:1(15Z))
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
DG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/0:0)
TG(15:0/18:0/24:1(15Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(14:1(9Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/22:0/18:3(6Z,9Z,12Z))
PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
Mitoxantrone A hydroxyanthraquinone that has formula C22H28N4O6.
TG(18:4(6Z,9Z,12Z,15Z)/14:0/o-18:0)
PC(18:0/22:2(13Z,16Z))
TG(24:0/24:1(15Z)/16:1(9Z))
TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(18:1(11Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Tetrahexosylceramide (d18:1/16:0)
TG(18:1(11Z)/20:2n6/20:1(11Z))
TG(14:0/22:0/14:1(9Z))
TG(18:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:0/o-18:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(22:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/24:0/20:3n6)
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
PE(16:1(9Z)/20:3(8Z,11Z,14Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)
DG(24:0/0:0/16:1n7)
TG(22:0/20:2n6/24:1(15Z))
Tetrahexosylceramide (d18:1/18:0)
PG(18:1(9Z)/18:3(6Z,9Z,12Z))
Milrinone A member of the class of bipyridines that is 2-pyridone which is substituted at positions 3, 5, and 6 by cyano, pyrid-4-yl, and methyl groups, respectively. It is used (particularly intravenously, as the lactate) for the short-term management of severe heart failure.
TG(18:0/16:1(9Z)/14:1(9Z))
2-hydroxy-dAMP A purine 2'-deoxyribonucleoside 5'-monophosphate in which the purine moiety is 2-hydroxyadenine.
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(15:0/14:0/20:0)
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
TG(22:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
Lornoxicam
TG(20:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
TG(24:1(15Z)/o-18:0/20:2n6)
TG(20:2n6/16:0/20:3n6)
TG(22:4(7Z,10Z,13Z,16Z)/24:0/22:4(7Z,10Z,13Z,16Z))
ADP-Ribosyl-L-arginine
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
TG(22:0/20:4(8Z,11Z,14Z,17Z)/22:0)
TG(15:0/18:1(11Z)/24:1(15Z))
TG(18:3(6Z,9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))
TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/18:1(9Z)/22:2(13Z,16Z))
TG(16:0/20:1(11Z)/22:0)
TG(18:1(11Z)/16:0/18:2(9Z,12Z))[iso3]
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
TG(24:1(15Z)/16:1(9Z)/22:2(13Z,16Z))
2b,3a,7a-Trihydroxy-5b-cholanoic acid
TG(18:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:2(13Z,16Z))
PC(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
SM(d18:0/23:0)
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(18:0/20:2n6/18:3(6Z,9Z,12Z))
DG(16:1(9Z)/16:1(9Z)/0:0)
TG(24:0/20:3n6/20:3n6)
TG(15:0/22:0/16:1(9Z))
TG(18:1(11Z)/16:1(9Z)/18:1(11Z))[iso3]
TG(15:0/18:1(11Z)/22:0)
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(24:1(15Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Sildenafil
PC(P-18:0/18:2(9Z,12Z))
TG(15:0/22:0/20:0)
MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
5-Hydroxyindoleacetic acid
DG(18:3n6/0:0/22:4n6)
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
PE(18:2(9Z,12Z)/22:0)
TG(16:1(9Z)/20:3n6/22:1(13Z))
TG(14:0/14:0/16:0)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:0/20:0/22:2(13Z,16Z))
Aflatoxin B1 dialcohol
TG(15:0/20:1(11Z)/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:1(15Z)/15:0/24:1(15Z))
Propyl alcohol
TG(24:1(15Z)/24:0/18:2(9Z,12Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:2(13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/15:0/20:3(5Z,8Z,11Z))
TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(24:1(15Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
Inosine triphosphate
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)
DG(18:3(9Z,12Z,15Z)/14:1(9Z)/0:0)
TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/15:0/20:2n6)
TG(14:1(9Z)/20:2n6/20:3n6)
TG(22:1(13Z)/20:2n6/22:1(13Z))
TG(18:3(6Z,9Z,12Z)/15:0/18:4(6Z,9Z,12Z,15Z))
PE(20:1(11Z)/24:1(15Z))
TG(16:1(9Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:1(15Z)/18:3(6Z,9Z,12Z)/24:1(15Z))
CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z))
Inodxyl glucuronide
Pyruvaldehyde
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
PC(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))
TG(18:0/20:1(11Z)/o-18:0)
PIP(18:1(15Z)/20:1(11Z))
TG(20:2n6/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Bromazepam
TG(18:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/22:1(13Z)/20:2n6)
TG(22:0/18:0/20:1(11Z))
DG(22:2n6/0:0/22:5n3)
TG(14:0/24:1(15Z)/22:2(13Z,16Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
Alfacalcidol
TG(15:0/18:3(9Z,12Z,15Z)/18:1(11Z))
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:0/24:1(15Z)/22:1(13Z))
Alpha-Linolenoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of alpha-linolenic acid.
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
Ganglioside GQ1c (d18:0/26:1(17Z))
TG(14:0/24:1(15Z)/o-18:0)
PE(16:1(9Z)/18:3(6Z,9Z,12Z))
DG(24:1n9/0:0/20:3n6)
TG(20:2n6/14:1(9Z)/20:2n6)
TG(22:0/18:1(9Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:2(13Z,16Z))
TG(15:0/18:3(9Z,12Z,15Z)/24:1(15Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0)
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
D-Xylulose The D-enantiomer of xylulose.
Diphemanil Methylsulfate The alkene resulting from the formal Wittig olefination of benzophenone and 1,1-dimethyl-4-bromopiperidinium methylsulfate. A quaternary ammonium anticholinergic, it binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids, saliva and sweat, It is used topically in the treatment of hyperhidorsis (excessive sweating).
PC(P-16:0/20:1(11Z))
Glutathione
TG(16:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(14:0/0:0/22:5n6)
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))
DG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(20:3n6/14:0/20:3n6)
TG(20:2n6/20:2n6/20:3n6)
3-Methyl-1-hydroxybutyl-ThPP A thiamine phosphate that has formula C17H29N4O8P2S.
PIP2(20:0/18:2(9Z,12Z))
TG(14:0/20:3(5Z,8Z,11Z)/20:1(11Z))
(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA An organic molecule that has formula C48H80N7O19P3S.
TG(24:0/22:1(13Z)/22:2(13Z,16Z))
PC(P-18:0/22:4(7Z,10Z,13Z,16Z))
TG(20:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
11,12-Epoxyeicosatrienoic acid
DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0)
TG(20:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
PC(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
3,4-Dihydroxymandelic acid A catechol that is the 3,4-dihydroxy derivative of mandelic acid; a metabolite of L-dopa.
TG(18:2(9Z,12Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
CDP-DG(16:0/18:0)
5-b-Cholestane-3a ,7a ,12a-triol
DHAP(18:0)
TG(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
Nalbuphine An organic heteropentacyclic compound that has formula C21H27NO4.
TG(20:0/14:0/o-18:0)
CL(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
PIP(18:1(9Z)/16:0)
Xanthosine A purine nucleoside in which xanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond.
TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/o-18:0)
TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:3n6)
20alpha-Hydroxycholesterol
TG(14:1(9Z)/22:2(13Z,16Z)/20:3n6)
Glucose 6-phosphate
TG(18:2(9Z,12Z)/o-18:0/18:3(9Z,12Z,15Z))
PE(20:0/16:0)
Testosterone An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5..
PE(18:3(9Z,12Z,15Z)/P-18:0)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(24:0/22:0/14:1(9Z))
PE(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/14:1(9Z)/o-18:0)
TG(14:0/o-18:0/20:4(5Z,8Z,11Z,14Z))
DG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/16:1(9Z)/24:1(15Z))
2-Methylbutyryl-CoA
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
3-Methylcrotonylglycine An N-acylglycine in which the acyl group is specified as 3-methylbut-2-enoyl.
PG(18:0/18:2(9Z,12Z))
TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:2(13Z,16Z)/16:1(9Z))
2-Aminomuconic acid The 2-amino derivative of muconic acid.
7-Hydroxyticlopidine
TG(18:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
Isothipendyl
CL(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:1(13Z)/18:1(11Z))
TG(14:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
PC(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))
PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))
TG(22:0/24:0/o-18:0)
D-Ribose A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde.
TG(18:1(9Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/20:3n6/16:1(9Z))
TG(22:2(13Z,16Z)/20:3n6/22:4(7Z,10Z,13Z,16Z))
TG(16:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
Propylhexedrine
TG(24:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/18:0/16:1(9Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)
3a,7a-Dihydroxycholanoic acid
TG(18:1(9Z)/24:0/22:1(13Z))
DG(14:0/16:0/0:0)
TG(16:0/20:2n6/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:3n6)
TG(18:3(6Z,9Z,12Z)/20:0/20:2n6)
TG(16:0/22:2(13Z,16Z)/24:0)
(6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA An organic molecule that has formula C45H70N7O18P3S.
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
PC(16:0/22:2(13Z,16Z))
PC(24:1(15Z)/P-16:0)
5-Fluoromuconolactone A butenolide that has formula C6H5FO4.
TG(16:0/14:1(9Z)/22:1(13Z))
4,4-Dimethylcholesta-8,14,24-trienol
TG(15:0/22:0/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/22:1(13Z)/18:3(6Z,9Z,12Z))
Mycophenolate mofetil
TG(24:0/22:1(13Z)/20:3n6)
Menthol
Clorazepate
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/22:1(13Z)/20:0)
PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/24:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/20:0/22:1(13Z))
Oxalic acid An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.
DG(18:3n6/0:0/20:5n3)
Uric acid An oxopurine that is the final oxidation product of purine metabolism.
TG(18:1(11Z)/20:3n6/24:1(15Z))
TG(18:1(9Z)/o-18:0/18:1(9Z))
Ganglioside GQ1c (d18:0/24:0)
Cytidine triphosphate
TG(24:0/22:2(13Z,16Z)/24:0)
TG(20:0/24:1(15Z)/18:1(11Z))
PE(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
PC(15:0/20:3(8Z,11Z,14Z))
TG(18:1(11Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/o-18:0)
TG(15:0/20:3n6/16:1(9Z))
TG(18:0/22:1(13Z)/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GQ1c (d18:0/18:1(11Z))
PC(P-18:1(11Z)/24:0)
TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/24:1(15Z)/18:0)
TG(22:1(13Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)
TG(20:4(5Z,8Z,11Z,14Z)/15:0/o-18:0)
Cycrimine
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
TG(16:0/o-18:0/18:1(9Z))
PC(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(18:1(11Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
D-Mannose A mannose with D-configuration.
PIP2(18:2(9Z,12Z)/16:0)
TG(14:0/15:0/24:0)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
PC(24:0/18:1(9Z))
DG(20:0/18:3(9Z,12Z,15Z)/0:0)
TG(16:0/o-18:0/18:3(6Z,9Z,12Z))
TG(22:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:0/20:4(8Z,11Z,14Z,17Z)/0:0)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(20:3n6/14:0/20:4(8Z,11Z,14Z,17Z))
DG(20:3(8Z,11Z,14Z)/22:0/0:0)
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/o-18:0)
TG(22:1(13Z)/14:1(9Z)/22:1(13Z))
TG(20:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/24:1(15Z))
TG(18:0/18:1(11Z)/18:1(9Z))
TG(20:0/20:0/24:0)
TG(24:0/24:1(15Z)/22:2(13Z,16Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/22:1(13Z)/14:1(9Z))
2'-Deoxyinosine triphosphate
Ganglioside GD3 (d18:0/24:1(15Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
PC(P-18:1(11Z)/22:0)
Carnosine
TG(16:0/20:3n6/22:0)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))
TG(18:1(11Z)/20:3n6/18:1(9Z))
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
Gonadorelin
TG(22:4(7Z,10Z,13Z,16Z)/14:0/18:3(9Z,12Z,15Z))
Glyceraldehyde An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.
6-Phosphonoglucono-D-lactone
TG(22:0/20:0/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
Mesalazine
TG(20:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/24:1(15Z)/18:3(6Z,9Z,12Z))
MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
MG(0:0/14:0/0:0)
TG(20:4(8Z,11Z,14Z,17Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/20:0/20:2n6)
TG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/o-18:0)
TG(18:1(11Z)/18:0/24:1(15Z))
TG(18:1(9Z)/24:0/20:2n6)
12-Keto-tetrahydro-leukotriene B4
DG(14:0/0:0/20:5n3)
Ganglioside GD1b (d18:0/12:0)
TG(14:1(9Z)/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/14:1(9Z)/22:2(13Z,16Z))
Cysteinylglycine
TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(15:0/20:3n6/20:1(11Z))
TG(22:2(13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/22:1(13Z)/22:1(13Z))
PE(P-18:1(9Z)/15:0)
TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:2n6)
TG(24:0/24:0/18:1(11Z))
TG(20:0/24:1(15Z)/20:2n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:3n6)
TG(22:2(13Z,16Z)/18:1(11Z)/o-18:0)
TG(22:0/14:1(9Z)/16:1(9Z))
DG(20:3(8Z,11Z,14Z)/16:1(9Z)/0:0)
TG(18:3(6Z,9Z,12Z)/24:0/22:4(7Z,10Z,13Z,16Z))
Ganglioside GT1c (d18:1/26:1(17Z))
TG(18:1(11Z)/24:0/18:2(9Z,12Z))
DG(14:0/18:1(9Z)/0:0)
TG(18:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3]
TG(18:1(11Z)/22:2(13Z,16Z)/18:1(11Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))
TG(18:1(11Z)/20:0/24:1(15Z))
PC(24:1(15Z)/18:3(9Z,12Z,15Z))
TG(24:0/14:0/16:1(9Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
PE(18:1(9Z)/14:1(9Z))
PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:2n6)
TG(16:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)
TG(15:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/22:1(13Z)/20:3n6)
TG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
Meprobamate
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z))
DG(20:1n9/0:0/18:3n6)
TG(20:1(11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
PG(18:1(11Z)/18:2(9Z,12Z))
Ganglioside GQ1c (d18:0/24:1(15Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0)
TG(18:3(9Z,12Z,15Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:1(11Z)/18:1(9Z))
TG(16:0/20:2n6/o-18:0)
TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/22:2(13Z,16Z))
TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Dermatan A mucopolysaccharide consisting of repeating beta-(1->4)-linked L-iduronyl-(beta1->3)-N-acetyl-D-galactosamine units.
PE(20:3(8Z,11Z,14Z)/18:1(9Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(20:2n6/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/22:0/16:1(9Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))
(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA A polyol that has formula C48H80N7O20P3S.
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA
PI(16:0/20:3(5Z,8Z,11Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
TG(22:1(13Z)/22:2(13Z,16Z)/18:2(9Z,12Z))
PE(18:0/18:3(9Z,12Z,15Z))
Angiotensin IV
Ganglioside GD1b (d18:1/24:0)
LysoPC(16:0) A lysophosphatidylcholine in which the acyl group has a fully saturated C16 chain and is attached to the glycero moiety at either position 1 or 2.
TG(16:1(9Z)/14:0/18:3(6Z,9Z,12Z))
TG(18:3(9Z,12Z,15Z)/14:0/o-18:0)
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)
TG(20:1(11Z)/22:1(13Z)/22:1(13Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0)
TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
DG(15:0/0:0/20:2n6)
3,5-Diiodo-L-tyrosine A diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis.
O-Phosphoethanolamine The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain.
TG(14:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))
TG(22:0/15:0/o-18:0)
TG(20:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/18:3(9Z,12Z,15Z)/20:1(11Z))
MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0)
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/20:2n6/o-18:0)
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(24:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/15:0/18:3(6Z,9Z,12Z))
(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)
PE(24:1(15Z)/20:1(11Z))
TG(18:0/15:0/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Foscarnet
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:0)
MG(22:1(13Z)/0:0/0:0)
TG(16:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(20:1(11Z)/20:0/20:3(5Z,8Z,11Z))
Ganglioside GT1c (d18:1/25:0)
TG(18:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/24:1(15Z)/o-18:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))
PC(15:0/18:3(6Z,9Z,12Z))
5-Hydroxykynurenine A modified amino acid that is kynurenine bearing a hydroxy group at the position para to the anilino group.
TG(15:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
Butanal A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals.
TG(15:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
DG(22:2(13Z,16Z)/18:0/0:0)
TG(18:1(9Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
Ganglioside GT1b (d18:1/22:1(13Z))
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/18:3(9Z,12Z,15Z)/18:1(9Z))
L-Tryptophan The L-enantiomer of tryptophan.
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
CDP-DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PC(22:1(13Z)/14:0)
TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/20:3n6/18:4(6Z,9Z,12Z,15Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
5-Aminoimidazole ribonucleotide
beta-D-Fructose 1,6-bisphosphate
PE(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(15:0/20:2(11Z,14Z))
TG(22:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
TG(14:0/22:2(13Z,16Z)/22:1(13Z))
Indapamide
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)
TG(22:1(13Z)/18:1(11Z)/20:3n6)
DG(18:2n6/0:0/18:3n6)
TG(22:1(13Z)/15:0/22:2(13Z,16Z))
TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))
DG(18:3(9Z,12Z,15Z)/16:1(9Z)/0:0)
Amylose A glucan composed of unbranched chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage.
TG(18:2(9Z,12Z)/18:1(11Z)/22:2(13Z,16Z))
TG(20:3n6/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/20:3n6/22:2(13Z,16Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))
TG(16:0/20:2n6/18:4(6Z,9Z,12Z,15Z))
Betamethasone A glucocorticoid that has formula C22H29FO5.
PC(22:1(13Z)/16:0)
TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GD1a (d18:1/18:0)
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)
DG(20:0/0:0/20:4n6)
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
Formyl-5-hydroxykynurenamine A hydroxykynurenamine that is 5-hydroxykynurenamine with the hydrogen on the aryl amine replaced by a formyl group.
PC(18:1(11Z)/24:0)
TG(14:1(9Z)/20:0/22:1(13Z))
2-Chloro-5-methylmaleylacetate An oxo carboxylic acid that has formula C7H7ClO5.
PC(P-16:0/24:0)
TG(24:0/20:2n6/18:1(11Z))
TG(24:0/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(15:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(P-18:0/22:1(13Z))
PC(18:4(6Z,9Z,12Z,15Z)/20:0)
TG(24:0/20:3(5Z,8Z,11Z)/20:1(11Z))
Methimazole A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.
Desvenlafaxine
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
TG(18:4(6Z,9Z,12Z,15Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(20:0/15:0/18:2(9Z,12Z))
PC(24:0/20:4(5Z,8Z,11Z,14Z))
TG(24:0/16:1(9Z)/18:1(11Z))
DG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/0:0)
PE(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))
TG(22:0/18:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/22:1(13Z)/20:0)
PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)
DG(18:0/0:0/20:3n6)
TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
Ganglioside GD2 (d18:1/24:1(15Z))
DL-O-Phosphoserine
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/20:1(11Z)/22:1(13Z))
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GD1a (d18:1/12:0)
PC(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/22:0/16:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Choloyl-CoA A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cholic acid.
PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
TG(18:1(11Z)/16:0/18:4(6Z,9Z,12Z,15Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
DG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
TG(15:0/24:0/16:0)
Guanosine 3'-diphosphate 5'-triphosphate A guanosine bisphosphate having a diphosphate at the 3'-position and a triphosphate at the 5'-position.
TG(22:2(13Z,16Z)/16:0/o-18:0)
PE(14:0/20:1(11Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
DG(24:0/0:0/20:4n3)
PIP(18:0/16:0)
TG(24:0/18:0/22:2(13Z,16Z))
TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GT2 (d18:1/25:0)
TG(22:2(13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:2n6/14:0/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/18:0/18:2(9Z,12Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))
TG(16:0/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/16:1(9Z)/20:1(11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
Thioguanine
TG(22:0/16:0/22:2(13Z,16Z))
TG(20:3n6/20:2n6/20:4(5Z,8Z,11Z,14Z))
TG(24:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
L-Octanoylcarnitine
4-Hydroxy-2-oxoglutaric acid An oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively.
Esmolol A carboxylic ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenoic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used as the hydrochloride salt in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery.
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(22:1(13Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))
Gamma Hydroxybutyric Acid
3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:2n6)
TG(14:0/20:3n6/o-18:0)
Phenacemide
Xanthylic acid
PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))
TG(24:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:3n6/20:2n6)
TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(24:1(15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
Itraconazole A dioxolane that has formula C35H38Cl2N8O4.
TG(24:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(20:3n6/20:3n6/18:4(6Z,9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))
Abacavir
TG(24:0/o-18:0/22:2(13Z,16Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Liotrix
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/24:0/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:2n6)
TG(16:0/18:0/20:0)[iso6]
TG(15:0/20:0/16:1(9Z))
TG(18:1(11Z)/16:0/20:4(8Z,11Z,14Z,17Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Erythrityl Tetranitrate
PIP(20:1(11Z)/18:1(11Z))
TG(18:1(11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))
TG(24:1(15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:1(9Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
DG(18:1(11Z)/18:3(9Z,12Z,15Z)/0:0)
DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/0:0)
TG(20:3n6/14:1(9Z)/o-18:0)
TG(18:0/16:1(9Z)/18:2(9Z,12Z))
TG(14:0/20:3n6/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PE(20:3(5Z,8Z,11Z)/20:0)
TG(24:0/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/16:1(9Z)/20:3n6)
PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
SM(d18:0/18:0)
Tocainide
PE(20:3(5Z,8Z,11Z)/22:0)
Bezafibrate
PS(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
PI(16:0/16:0) A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl group is also hexadecanoyl.
TG(18:0/20:4(5Z,8Z,11Z,14Z)/24:0)
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
TG(20:1(11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3n6/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))
Genistein 7-Hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties.
PC(18:3(9Z,12Z,15Z)/14:0)
TG(18:1(9Z)/20:2n6/18:1(9Z))
TG(20:2n6/18:0/22:4(7Z,10Z,13Z,16Z))
TG(18:0/14:0/20:1(11Z))
2-Polyprenyl-6-methoxy-1,4-benzoquinone
TG(20:0/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
DG(20:2(11Z,14Z)/18:1(11Z)/0:0)
Triphosphate
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
TG(16:0/20:1(11Z)/16:0)
TG(22:0/22:0/16:1(9Z))
Moxifloxacin A quinolone that consits of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.
Fluorouracil
TG(14:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/16:0/18:1(9Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)
PG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
PC(16:1(9Z)/18:1(11Z))
DG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/0:0)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)
DG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)
TG(20:3(5Z,8Z,11Z)/20:0/o-18:0)
DG(20:0/0:0/22:5n3)
TG(16:1(9Z)/20:0/18:1(9Z))
DG(16:0/24:0/0:0)
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(16:0/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(15:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))
Hemin
TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))
TG(18:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/24:0/o-18:0)
TG(22:0/14:0/22:2(13Z,16Z))
PE(18:3(6Z,9Z,12Z)/24:1(15Z))
Isocitric acid A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxy group.
2,8-Dihydroxyquinoline-beta-D-glucuronide
PC(20:2(11Z,14Z)/22:0)
LPA(16:0/0:0)
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(20:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:3n6)
TG(18:1(11Z)/24:0/20:4(5Z,8Z,11Z,14Z))
TG(24:0/22:1(13Z)/18:3(6Z,9Z,12Z))
TG(15:0/16:0/20:1(11Z))
TG(14:1(9Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
PC(20:2(11Z,14Z)/24:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Zonisamide A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.
PC(18:2(9Z,12Z)/24:1(15Z))
Diphthine A quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring.
PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
DG(24:1(15Z)/20:0/0:0)
Molybdenum A chromium group element atom that has formula Mo.
PS(16:0/16:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Ganglioside GD1a (d18:0/26:1(17Z))
DG(22:1(13Z)/24:1(15Z)/0:0)
TG(14:0/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:0)
TG(15:0/20:2n6/20:4(8Z,11Z,14Z,17Z))
Nitroglycerin A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain.
TG(20:2n6/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Diflunisal An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.
TG(18:0/18:0/20:0)[iso3]
L-Aspartic acid The L-enantiomer of aspartic acid.
TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:3n6/18:2(9Z,12Z))
TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(20:3n6/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
Pheniramine
TG(18:0/22:2(13Z,16Z)/14:1(9Z))
TG(22:1(13Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:3n6/20:1(11Z))
DG(20:4(8Z,11Z,14Z,17Z)/14:0/0:0)
TG(16:0/20:0/18:1(11Z))
PC(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/20:0/22:2(13Z,16Z))
Trypanothione disulfide Trypanothione disulfide is the oxidized form of N(1),N(8)-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata.
TG(16:0/18:3(9Z,12Z,15Z)/22:0)
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:2(13Z,16Z))
TG(20:0/20:2n6/16:1(9Z))
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:1(11Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/o-18:0/18:3(9Z,12Z,15Z))
Melibiose A glycosylglucose formed by an alpha-(1->6)-linkage between D-galactose and D-glucose.
TG(14:1(9Z)/20:3n6/22:2(13Z,16Z))
Tridecanoyl-CoA A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of tridecanoic acid.
TG(18:0/18:0/24:0)
PE(22:4(7Z,10Z,13Z,16Z)/P-16:0)
TG(18:3(9Z,12Z,15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/22:0/22:1(13Z))
TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
CE(10:0)
TG(20:1(11Z)/14:0/o-18:0)
CE(12:0)
TG(14:0/20:3(5Z,8Z,11Z)/18:1(11Z))
TG(15:0/18:3(9Z,12Z,15Z)/20:1(11Z))
TG(14:0/20:0/20:4(5Z,8Z,11Z,14Z))
DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/0:0)
TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))
TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:0/18:1(9Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GM3 (d18:1/23:0)
Cinnavalininate A phenoxazine that has formula C14H8N2O6.
TG(20:0/16:0/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/24:0/18:2(9Z,12Z))
CE(18:1(11Z))
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3]
TG(20:2n6/22:1(13Z)/o-18:0)
TG(24:1(15Z)/22:1(13Z)/24:1(15Z))
TG(14:0/24:0/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:0/14:0/22:1(13Z))
DG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/0:0)
TG(20:1(11Z)/22:0/18:2(9Z,12Z))
TG(18:3(6Z,9Z,12Z)/o-18:0/18:3(9Z,12Z,15Z))
3-Aminosalicylic acid
TG(14:0/14:0/18:1(9Z))
Delta7-Avenasterol A steroid that has formula C29H48O.
DG(16:1(9Z)/15:0/0:0)
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/18:1(9Z)/24:1(15Z))
TG(18:3(9Z,12Z,15Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)
TG(16:1(9Z)/18:2(9Z,12Z)/20:2n6)
TG(24:1(15Z)/18:3(9Z,12Z,15Z)/o-18:0)
PI(16:0/18:0)
TG(22:0/18:1(9Z)/18:1(11Z))
DG(18:1n9/0:0/20:4n3)
TG(22:0/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
PE(24:1(15Z)/20:3(8Z,11Z,14Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
TG(18:1(11Z)/20:1(11Z)/20:3(5Z,8Z,11Z))
TG(16:0/24:1(15Z)/18:0)
TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/22:1(13Z)/18:2(9Z,12Z))
TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
L-Palmitoylcarnitine
TG(22:1(13Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(20:3(8Z,11Z,14Z)/P-18:1(11Z))
PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GD2 (d18:0/22:0)
DG(20:0/20:2(11Z,14Z)/0:0)
TG(22:0/22:1(13Z)/22:0)
PC(o-18:2(9Z,12Z)/18:2(9Z,12Z))
PC(22:0/P-18:0)
PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Olanzapine A benzodiazepine that has formula C17H20N4S.
Levosimendan
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PE(P-18:0/22:2(13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))
Bismuth Subsalicylate A bismuth salt of salicylic acid.
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(20:2n6/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
L-Iditol The L-enantiomer of iditol.
DG(20:3n9/0:0/20:3n9)
TG(14:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
PI(18:2(9Z,12Z)/18:1(9Z))
TG(24:0/18:2(9Z,12Z)/14:1(9Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))
Glyceric acid 1,3-biphosphate
TG(20:2n6/18:1(11Z)/22:2(13Z,16Z))
TG(18:1(9Z)/20:0/18:2(9Z,12Z))
DG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/0:0)
Allodeoxycholic acid
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PIP(18:1(11Z)/16:1(9Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
TG(22:2(13Z,16Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
Prostaglandin H2 A prostaglandins H that has formula C20H32O5.
DG(18:3(9Z,12Z,15Z)/20:1(11Z)/0:0)
CL(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(20:3n6/20:0/20:4(8Z,11Z,14Z,17Z))
(S)-3-Hydroxy-N-methylcoclaurine An isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3.
TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
PE(24:0/15:0)
TG(20:0/22:0/20:2n6)
PC(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
PIP2(16:1(9Z)/18:1(9Z))
TG(18:0/15:0/20:2n6)
TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:0/20:3n6/20:2n6)
Oxybutynin An acetylenic compound that has formula C22H31NO3.
TG(16:0/18:2(9Z,12Z)/o-18:0)
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(14:0/20:1(11Z)/22:0)
TG(15:0/18:1(9Z)/15:0)
Diethylcarbamazine
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:1(13Z))
DG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
Rescinnamine
DG(22:1n9/0:0/22:1n9)
PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/24:0/20:4(5Z,8Z,11Z,14Z))
PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(22:2(13Z,16Z)/20:0)
DG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/0:0)
Riluzole
DG(18:3n6/0:0/22:5n6)
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:3n6)
TG(16:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
3-O-Sulfogalactosylceramide (d18:1/16:0)
TG(16:0/20:0/20:1(11Z))[iso6]
PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
Pentostatin
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Carbon dioxide A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food.
TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/22:1(13Z)/20:2n6)
TG(22:1(13Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(18:1(11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
6-Methylthiopurine 5'-monophosphate ribonucleotide An organic molecule that has formula C11H15N4O7PS.
TG(20:1(11Z)/20:1(11Z)/20:1(11Z))
TG(15:0/20:3(5Z,8Z,11Z)/24:1(15Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(18:3(6Z,9Z,12Z)/20:0/0:0)
Calcidiol A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3.
TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
PC(18:1(11Z)/P-18:1(11Z))
PE(24:1(15Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
19-Hydroxytestosterone A 3-oxo Delta(4)-steroid that is testosterone which is substituted by a hydroxy group at positions 19.
TG(20:3n6/20:1(11Z)/22:2(13Z,16Z))
TG(22:0/20:4(8Z,11Z,14Z,17Z)/14:1(9Z))
Deoxyhypusine An L-lysine derivative in which the N(6) of the lysine is substituted with a 4-aminobutyl group.
DG(18:2n6/0:0/22:5n6)
TG(18:0/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(16:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
Acamprosate
TG(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PIP3(18:0/18:1(11Z))
DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))
N-Desmethylaminopyrine
Betaine aldehyde A quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine.
TG(22:1(13Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(20:1(11Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
TG(20:1(11Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:1(9Z)/18:2(9Z,12Z)/22:1(13Z))
TG(14:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
Methylcysteine
TG(20:1(11Z)/20:0/20:3n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
Tiglyl-CoA
TG(18:3(6Z,9Z,12Z)/20:2n6/18:3(9Z,12Z,15Z))
Prunasin A cyanogenic glycoside that has formula C14H17NO6.
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)
TG(16:0/22:1(13Z)/16:1(9Z))
PS(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
PC(24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/24:1(15Z)/22:2(13Z,16Z))
TG(20:0/16:1(9Z)/22:0)
TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
4-Hydroxyphenylpyruvic acid An oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.
DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/24:0)
TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)
PIP(16:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/16:0/22:0)
TG(24:0/14:0/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
Quercetin A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions.
TG(14:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))
Daidzin
TG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(18:3(6Z,9Z,12Z)/P-18:0)
TG(20:2n6/20:3n6/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:4(7Z,10Z,13Z,16Z))
TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
Thiothixene
TG(18:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/15:0)
3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid A methoxybenzoic acid that has formula C38H56O4.
TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:0/20:2n6/20:1(11Z))
TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
1b,3a,12a-Trihydroxy-5b-cholanoic acid
TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
DG(22:4n6/0:0/18:4n3)
TG(20:0/22:1(13Z)/18:1(9Z))
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/18:0/20:2n6)
TG(18:1(11Z)/20:0/18:2(9Z,12Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))
Allantoic acid A member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively.
PC(18:2(9Z,12Z)/18:1(9Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
D-Arginine A D-alpha-amino acid that is the D-isomer of arginine.
TG(24:1(15Z)/20:0/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/o-18:0)
DG(18:1(11Z)/20:0/0:0)
PC(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/18:1(9Z)/o-18:0)
TG(20:2n6/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:2(13Z,16Z))
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
PE(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(22:0/16:1(9Z)/18:1(11Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/24:0/24:1(15Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)
TG(18:2(9Z,12Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
3-Sulfopyruvic acid A carboxyalkanesulfonic acid comprising pyruvic acid with a sulfo group attached at the C-3 position.
Oxamniquine
TG(20:3(5Z,8Z,11Z)/15:0/18:2(9Z,12Z))
TG(24:0/14:1(9Z)/o-18:0)
TG(16:1(9Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
DG(16:1(9Z)/20:3(8Z,11Z,14Z)/0:0)
TG(22:2(13Z,16Z)/18:0/18:3(9Z,12Z,15Z))
D-Tagatose 1,6-bisphosphate A ketohexose bisphosphate that is D-tagatose carrying phosphate groups at positions 1 and 6.
Sibutramine
PIP(20:3(8Z,11Z,14Z)/18:1(11Z))
TG(18:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
DG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
DG(16:1(9Z)/14:1(9Z)/0:0)
DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(18:1(11Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Hydrogen Ion
TG(18:3(6Z,9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:2n6/22:0/20:2n6)
TG(24:1(15Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/24:1(15Z)/14:1(9Z))
DG(18:3n6/0:0/18:3n6)
TG(18:1(11Z)/20:3n6/18:2(9Z,12Z))
DG(22:0/0:0/14:1n5)
TG(18:0/16:1(9Z)/16:1(9Z))
PC(24:0/14:1(9Z))
TG(15:0/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(18:3(6Z,9Z,12Z)/18:0/22:4(7Z,10Z,13Z,16Z))
TG(20:0/18:3(9Z,12Z,15Z)/22:0)
TG(16:0/18:3(6Z,9Z,12Z)/22:1(13Z))
5-Methylthioribulose 1-phosphate
TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
7-Ketocholesterol A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7.
TG(14:1(9Z)/20:1(11Z)/o-18:0)
Nicotinuric acid An N-acylglycine having nicotinoyl as the acyl substituent.
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/o-18:0)
TG(20:0/14:1(9Z)/20:3(5Z,8Z,11Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
TG(24:0/24:1(15Z)/24:1(15Z))
Cyclobenzaprine 5-Methylidene-5H-dibenzo[a,d]cycloheptene in which one of the hydrogens of the methylidene group is substituted by a 2-(dimethylamino)ethyl group. A centrally acting skeletal muscle relaxant, it is used as its hydrochloride salt in the symptomatic treatment of painful muscle spasm.
TG(22:0/15:0/20:1(11Z))
TG(16:1(9Z)/22:2(13Z,16Z)/20:1(11Z))
TG(18:1(11Z)/20:2n6/18:3(9Z,12Z,15Z))
TG(16:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(14:0/22:0/18:1(9Z))
TG(14:0/o-18:0/18:2(9Z,12Z))
TG(20:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
PE(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
Nebularine A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage.
TG(22:0/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
PC(15:0/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
TG(22:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/20:1(11Z)/18:3(6Z,9Z,12Z))
TG(14:0/22:0/20:3(5Z,8Z,11Z))
TG(20:2n6/22:0/o-18:0)
TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(14:1(9Z)/16:1(9Z))
Cytidine A pyrimidine nucleoside in which cytosine is attached to ribofuranose via a beta-N(1)-glycosidic bond.
TG(15:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Anandamide A fatty amide obtained by the formal condensation of arachidonic acid with ethanolamine.
Sphingosine 1-phosphate A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1
Dimethyl selenide An organoselenium compound of two methyl groups covalently bound to a selenium.
DG(22:5n6/0:0/18:3n3)
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))
TG(18:0/20:1(11Z)/20:0)
PC(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:0/o-18:0)
TG(22:0/o-18:0/20:3n6)
(S)-N-Methylcoclaurine The (S)-enantiomer of N-methylcoclaurine.
TG(14:1(9Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/14:0/22:1(13Z))
TG(14:0/20:1(11Z)/15:0)
TG(24:0/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(22:0/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(14:0/24:0/20:0)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))
TG(18:1(11Z)/16:1(9Z)/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/20:2n6/18:3(9Z,12Z,15Z))
TG(24:0/14:0/20:1(11Z))
TG(18:4(6Z,9Z,12Z,15Z)/16:0/o-18:0)
TG(16:1(9Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
TG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
beta-Alanyl-L-arginine A dipeptide that has formula C9H19N5O3.
Vinblastine
PE(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/15:0/14:1(9Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/14:0/20:3n6)
PE(18:1(11Z)/20:1(11Z))
PI(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(18:3n6/0:0/22:2n6)
TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(22:1(13Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/16:0/18:3(9Z,12Z,15Z))[iso6]
TG(20:0/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
TG(18:0/18:0/20:3n6)
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(18:3(9Z,12Z,15Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Butenafine
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
Propranolol A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.
PE(20:3(5Z,8Z,11Z)/18:1(9Z))
TG(15:0/20:2n6/20:3n6)
TG(18:3(6Z,9Z,12Z)/20:3n6/22:2(13Z,16Z))
TG(24:0/22:4(7Z,10Z,13Z,16Z)/24:0)
TG(14:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/24:1(15Z)/20:3n6)
TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(16:0/o-18:0/16:0)
Succinyl-CoA An omega-carboxyacyl-CoA having succinoyl as the S-acyl component.
TG(24:1(15Z)/15:0/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/24:1(15Z)/20:2n6)
TG(15:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/22:0/o-18:0)
DG(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)
PC(22:4(7Z,10Z,13Z,16Z)/20:0)
DG(16:1(9Z)/16:0/0:0)
Didemethylcitalopram An organic amino compound that has formula C18H17FN2O.
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/16:1(9Z))
TG(20:1(11Z)/14:0/18:3(9Z,12Z,15Z))
TG(16:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Mannose 6-phosphate
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/20:2n6/18:3(9Z,12Z,15Z))
Ganglioside GD1a (d18:1/26:0)
TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)
DG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
CMP-2-aminoethylphosphonate A nucleotide 2-aminoethylphosphonate that has formula C11H20N4O10P2.
Nicotinic acid A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.
CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)
TG(18:3(9Z,12Z,15Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))
TG(20:0/o-18:0/18:4(6Z,9Z,12Z,15Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(20:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(14:0/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/22:1(13Z)/18:1(11Z))
TG(20:1(11Z)/15:0/24:1(15Z))
MG(24:1(15Z)/0:0/0:0)
Allopurinol A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
TG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
L-3-Hydroxykynurenine Tha amino acid zwitterion formed from 5-hydroxy-L-kynurenine by transfer of a proton from the carboxy to the amino group; principal microspecies at pH 7.3.
TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:1(13Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
Hydroxyzileuton
PE(15:0/18:1(11Z))
TG(22:0/o-18:0/24:1(15Z))
TG(18:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
DG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(24:0/14:1(9Z)/24:1(15Z))
DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
DG(22:0/15:0/0:0)
TG(14:1(9Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
LysoPC(18:1(11Z))
TG(22:0/18:3(9Z,12Z,15Z)/14:1(9Z))
Ketoleucine
TG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
3-Oxo-OPC4-CoA An organic molecule that has formula C35H54N7O19P3S.
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(16:0/18:3(9Z,12Z,15Z)/18:1(11Z))
TG(22:1(13Z)/18:2(9Z,12Z)/22:1(13Z))
Ganglioside GD3 (d18:0/18:0)
TG(20:2n6/20:3n6/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/14:1(9Z)/24:1(15Z))
DG(18:1(9Z)/18:1(9Z)/0:0)
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
Tropicamide
PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/24:1(15Z)/18:3(6Z,9Z,12Z))
Meperidine
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
PG(18:0/20:3(8Z,11Z,14Z))
TG(20:2n6/22:0/22:2(13Z,16Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)
TG(24:1(15Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
TG(15:0/20:3n6/18:4(6Z,9Z,12Z,15Z))
TG(18:2(9Z,12Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
5-Fluorouridine monophosphate
TG(22:0/o-18:0/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:0/dm18:0)
TG(20:2n6/22:0/22:4(7Z,10Z,13Z,16Z))
Pimecrolimus
PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)
TG(16:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Cholesterol
PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GT1b (d18:0/24:0)
TG(14:0/14:0/14:0)
Dihydroneopterin triphosphate
TG(24:1(15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(22:1(13Z)/15:0/22:1(13Z))
TG(18:1(9Z)/20:1(11Z)/18:1(9Z))
TG(24:0/20:0/24:0)
TG(22:0/24:0/24:0)
Phenol sulphate
3-Mercaptolactic acid A (2R)-2-hydroxy monocarboxylic acid consisting of lactic acid having a sulfanyl group at the 3-position.
Diadenosine hexaphosphate
PE(16:1(9Z)/14:0)
TG(18:0/18:1(9Z)/18:1(9Z))[iso3]
TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
Benzocaine A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.
TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:2(13Z,16Z))
DG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
DG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(18:3(9Z,12Z,15Z)/20:2n6/o-18:0)
Ganglioside GT1b (d18:0/22:0)
TG(20:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(14:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PC(18:3(9Z,12Z,15Z)/22:0)
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
Dalfopristin
Hydroxymethylbilane
(S)-2-amino-6-oxohexanoate
TG(24:1(15Z)/18:0/18:3(6Z,9Z,12Z))
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)
DG(16:1n7/0:0/20:4n3)
Carmustine
DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PIP(18:1(9Z)/18:1(9Z))
TG(18:1(11Z)/22:1(13Z)/18:1(11Z))
PC(18:1(11Z)/P-18:0)
TG(20:3(5Z,8Z,11Z)/18:0/22:1(13Z))
PC(20:2(11Z,14Z)/P-18:1(9Z))
TG(20:0/16:0/20:2n6)
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)
TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
PC(o-22:0/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
Ceramide (d18:1/9Z-18:1)
LysoSM(d18:1)
TG(22:1(13Z)/16:0/20:4(5Z,8Z,11Z,14Z))
TG(18:0/16:1(9Z)/18:0)
SM(d18:1/23:0)
TG(18:3(6Z,9Z,12Z)/16:0/20:2n6)
Phendimetrazine
TG(20:0/24:0/24:1(15Z))
PC(20:1(11Z)/18:2(9Z,12Z))
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
Hydroxyacetone A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group.
TG(14:1(9Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(18:3(9Z,12Z,15Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:0/18:3(9Z,12Z,15Z))
CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z))
Glycochenodeoxycholic acid 3-glucuronide
TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
TG(24:0/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
D-Tryptophan The D-enantiomer of tryptophan.
TG(18:1(9Z)/16:0/22:2(13Z,16Z))
PA(18:1(11Z)/18:1(11Z))
TG(20:0/16:1(9Z)/18:3(9Z,12Z,15Z))
TG(20:2n6/16:0/22:2(13Z,16Z))
TG(20:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:1(11Z)/P-18:0)
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:3n6)
TG(20:3n6/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Olomoucine
TG(24:1(15Z)/18:0/18:2(9Z,12Z))
DG(14:1(9Z)/16:0/0:0)
3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA
25-Hydroxyvitamin D2-25-glucuronide
TG(20:3n6/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(22:2(13Z,16Z)/P-16:0)
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/16:0/18:3(6Z,9Z,12Z))
Ganglioside GM1 (d18:0/20:0)
DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)
Ganglioside GM2 (d18:1/26:0)
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:1(15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Dopaquinone
TG(14:1(9Z)/20:0/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GM2 (d18:1/24:0)
TG(22:0/24:0/18:1(9Z))
TG(22:2(13Z,16Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/0:0)
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))
PE(24:1(15Z)/P-18:1(9Z))
TG(20:3n6/24:0/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:4(7Z,10Z,13Z,16Z)/15:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:1(11Z)/24:0)
TG(18:0/20:2n6/20:4(8Z,11Z,14Z,17Z))
TG(20:0/18:3(9Z,12Z,15Z)/16:1(9Z))
Methylimidazoleacetic acid
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(22:2(13Z,16Z)/22:2(13Z,16Z)/o-18:0)
PC(o-18:1(9Z)/16:0)
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/15:0/18:2(9Z,12Z))
TG(16:1(9Z)/20:0/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3n6/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(18:1(11Z)/16:0)
TG(22:0/16:0/16:1(9Z))
Podofilox
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/16:0/18:3(6Z,9Z,12Z))
Phenmetrazine
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/20:3n6/20:2n6)
PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/20:3n6/18:3(9Z,12Z,15Z))
PE(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Cer(d18:0/25:0)
PE(15:0/22:4(7Z,10Z,13Z,16Z))
TG(20:0/16:1(9Z)/18:2(9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:1(13Z)/18:1(11Z))
TG(20:0/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(15:0/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(18:1(9Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(20:4n6/0:0/22:5n3)
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z))
DG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
Prochlorperazine A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.
PC(14:1(9Z)/14:0)
PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/20:3(5Z,8Z,11Z)/18:0)
PC(P-18:0/18:4(6Z,9Z,12Z,15Z))
PC(18:1(11Z)/18:0)
PC(24:1(15Z)/20:3(8Z,11Z,14Z))
TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
Decanoyl-CoA (n-C10:0CoA)
TG(18:3(6Z,9Z,12Z)/18:0/o-18:0)
TG(20:0/14:1(9Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(16:0/0:0/22:1n9)
2-Hydroxyestrone-4-S-glutathione
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(18:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
3,4-Dihydroxyphenylacetaldehyde A phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups.
Hesperidin A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.
TG(14:0/18:3(9Z,12Z,15Z)/16:0)
Phosphoribosyl-ATP
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
N-Acetylneuraminic acid An N-acylneuraminic acid where the N-acyl group is specified as acetyl.
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
TG(18:2(9Z,12Z)/20:2n6/18:3(6Z,9Z,12Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/24:1(15Z)/18:1(11Z))
TG(22:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
Procaine A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.
Dactinomycin
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
DG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
PIP(18:0/18:1(11Z))
PE(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))
Undecanoic acid A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series.
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:2n6)
TG(18:1(11Z)/24:0/20:3(5Z,8Z,11Z))
PE(22:0/18:0)
TG(18:3(9Z,12Z,15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/18:1(11Z)/22:2(13Z,16Z))
TG(16:1(9Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/20:2n6/24:0)
TG(16:1(9Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PS(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(14:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Fusidic Acid A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum.
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
TG(18:3(9Z,12Z,15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
TG(18:1(9Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
Benzylamine A primary amine compound having benzyl as the N-substituent. It has been isolated from Moringa oleifera (horseradish tree).
TG(14:0/20:3n6/18:1(11Z))
TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
TG(16:0/14:1(9Z)/14:1(9Z))
TG(20:1(11Z)/16:1(9Z)/22:1(13Z))
TG(18:1(9Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
Nelarabine
TG(22:2(13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/14:1(9Z)/16:1(9Z))
TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
TG(18:0/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GD1b (d18:0/20:0)
TG(20:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
PIP2(20:3(8Z,11Z,14Z)/18:1(9Z))
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
Talbutal
TG(22:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/22:1(13Z)/14:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
1-Methylpyrrolinium An organic cation that is 1-pyrroline bearing an N-methyl substituent.
TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al
Ethyl pyruvate
Mevalonic acid-5P
TG(22:0/22:1(13Z)/18:2(9Z,12Z))
TG(24:1(15Z)/20:0/20:2n6)
TG(16:1(9Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/20:3(5Z,8Z,11Z)/18:1(9Z))
PG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid
TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)
TG(14:0/22:0/18:3(9Z,12Z,15Z))
3b,12b-Dihydroxy-5b-cholanoic acid
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(24:0/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
CDP-DG(18:1(11Z)/18:2(9Z,12Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
Porphobilinogen A dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively.
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
3b,7b,12a-Trihydroxy-5b-cholanoic acid
TG(20:4(8Z,11Z,14Z,17Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/16:0/20:4(5Z,8Z,11Z,14Z))
TG(20:1(11Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(16:0/18:3(6Z,9Z,12Z)/22:0)
TG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA(18:1(11Z)/18:1(9Z))
TG(18:0/18:3(6Z,9Z,12Z)/20:0)
TG(22:0/18:1(9Z)/20:3(5Z,8Z,11Z))
TG(14:0/18:1(11Z)/24:1(15Z))
1D-Myo-inositol 1,3-bisphosphate
N-Desmethylcitalopram
TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Adenosyl cobyrinic acid a,c diamide
TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(P-18:1(11Z)/16:0)
TG(22:1(13Z)/22:0/24:1(15Z))
TG(18:0/18:3(6Z,9Z,12Z)/22:0)
TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
PE(P-18:1(9Z)/22:0)
TG(14:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Masoprocol
TG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)
TG(15:0/24:0/18:4(6Z,9Z,12Z,15Z))
TG(15:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:1(11Z)/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(22:0/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:3(6Z,9Z,12Z)/20:0)
PE(P-18:1(9Z)/18:3(9Z,12Z,15Z))
PC(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)
TG(22:2(13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z))
TG(16:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/22:1(13Z)/18:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(8Z,11Z,14Z,17Z)/24:0/o-18:0)
N-Methylserotonin A member of the class of tryptamines that is serotonin in which one of the hydrogens attached to the primary amino group is replaced by a methyl group.
PE(P-18:1(11Z)/14:0)
TG(14:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:0/o-18:0/24:1(15Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)
TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/o-18:0)
PE(P-18:1(9Z)/20:0)
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
PC(14:0/20:4(8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/20:3n6/20:3n6)
TG(20:1(11Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Carbenicillin
2-Chloro-5-methyl-cis-dienelactone A butenolide that has formula C7H5ClO4.
TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(22:1(13Z)/15:0/o-18:0)
DG(18:0/0:0/20:1n9)
DG(24:0/18:4(6Z,9Z,12Z,15Z)/0:0)
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
PC(20:1(11Z)/20:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:0/20:3n6/18:1(9Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:0/24:0/20:1(11Z))
TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:3n6)
PE(22:1(13Z)/18:1(11Z))
TG(18:1(9Z)/22:1(13Z)/20:3(5Z,8Z,11Z))
TG(15:0/20:0/22:1(13Z))
TG(20:1(11Z)/20:1(11Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
5-Thymidylic acid
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/18:0/18:1(9Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:1(11Z)/o-18:0/18:2(9Z,12Z))
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/16:0/o-18:0)
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:1(13Z))
TG(20:1(11Z)/o-18:0/22:2(13Z,16Z))
TG(20:1(11Z)/20:2n6/18:2(9Z,12Z))
TG(16:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(18:3(6Z,9Z,12Z)/16:1(9Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Paliperidone
TG(20:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Pregnanediol-3-glucuronide
TG(22:0/20:3(5Z,8Z,11Z)/24:0)
TG(20:1(11Z)/18:2(9Z,12Z)/24:1(15Z))
Arachidonyl-CoA
TG(20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
Propylthiouracil
PS(18:3(9Z,12Z,15Z)/16:1(9Z))
TG(14:0/16:0/16:1(9Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:3n6/o-18:0)
TG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
Phenylpropanolamine
TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
DG(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)
TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(16:1(9Z)/24:1(15Z)/20:2n6)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
PC(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)
Ganglioside GM3 (d18:0/23:0)
TG(18:2(9Z,12Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/18:2(9Z,12Z)/20:3n6)
DG(15:0/18:3(9Z,12Z,15Z)/0:0)
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(18:1(9Z)/20:1(11Z)/18:2(9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
20a-Dihydroprogesterone
TG(15:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/14:1(9Z)/20:3n6)
TG(20:3(5Z,8Z,11Z)/18:0/20:4(8Z,11Z,14Z,17Z))
SM(d18:1/18:1(11Z))
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z))
TG(18:1(11Z)/24:0/22:1(13Z))
D-erythro-Eritadenine
TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(18:0/14:0/o-18:0)
TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
Metronidazole A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.
TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:2n6/18:3(9Z,12Z,15Z)/20:3n6)
TG(16:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/18:1(9Z)/20:2n6)
TG(15:0/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/22:2(13Z,16Z))
Ethopropazine
Purine A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines.
TG(18:1(9Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/20:0/20:3(5Z,8Z,11Z))
TG(22:0/18:1(9Z)/22:0)
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
Nimodipine A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.
PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/o-18:0/24:1(15Z))
TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
DG(22:4n6/0:0/20:4n3)
PC(20:0/18:1(11Z))
TG(18:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
TG(20:1(11Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(20:1(11Z)/20:1(11Z)/0:0)
PE(18:3(9Z,12Z,15Z)/20:1(11Z))
TG(20:1(11Z)/14:0/20:3n6)
Imiquimod An imidazoquinoline that has formula C14H16N4.
PC(22:0/20:2(11Z,14Z))
TG(16:1(9Z)/18:1(11Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/20:2n6/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/22:0/20:3n6)
TG(20:0/22:0/20:1(11Z))
PS(16:0/18:0)
9(S)-HPODE An HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (S configuration). It is an intermediate in the metabolic pathway for linoleic acid.
PC(18:2(9Z,12Z)/20:1(11Z))
PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/20:1(11Z)/22:1(13Z))
DG(22:2(13Z,16Z)/22:0/0:0)
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))
TG(22:2(13Z,16Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)
Neuraminic acid
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Edetic Acid
TG(14:0/20:3n6/20:2n6)
PE(18:1(11Z)/16:1(9Z))
TG(20:0/18:2(9Z,12Z)/18:1(9Z))
TG(16:0/20:0/20:3n6)
TG(24:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/24:1(15Z))
PC(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
Phenethylamine glucuronide
TG(20:0/18:0/14:1(9Z))
TG(20:1(11Z)/18:0/20:3(5Z,8Z,11Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:2(13Z,16Z)/20:0/22:2(13Z,16Z))
TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
PC(24:0/15:0)
DG(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
TG(20:2n6/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/22:0/24:1(15Z))
DG(18:2n6/0:0/22:4n6)
Ranolazine
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine The 3-hydroxy derivative of N(6),N(6),N(6)-trimethyl-L-lysine
TG(15:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(22:0/20:3(5Z,8Z,11Z)/0:0)
DG(22:0/0:0/20:4n3)
PIP2(18:1(9Z)/18:2(9Z,12Z))
TG(14:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:0/20:1(11Z))
PE(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(18:3(9Z,12Z,15Z)/20:0/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/15:0/20:4(5Z,8Z,11Z,14Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))
TG(14:0/20:1(11Z)/18:1(11Z))
Perillyl alcohol
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/o-18:0)
Ecabet
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
Acetohexamide An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group.
Celecoxib
TG(18:1(11Z)/22:2(13Z,16Z)/20:3n6)
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/o-18:0)
5-HETE A HETE having a 5-hydroxy group and (6E)-, (8Z)-, (11Z)- and (14Z)-double bonds.
TG(18:0/16:0/22:2(13Z,16Z))
PC(P-18:1(11Z)/24:1(15Z))
TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(24:0/24:0/22:1(13Z))
3a,4b,12a-Trihydroxy-5b-cholanoic acid
TG(16:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/18:1(9Z)/22:1(13Z))
TG(18:1(11Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
CDP-glycerol A nucleotide-alditol having cytidine-5'-diphosphate and glycerol as the nucleotide and alditol components respectively.
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:1(11Z)/18:1(11Z))
TG(20:1(11Z)/20:0/22:1(13Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(16:1(9Z)/18:0/20:3n6)
TG(22:2(13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/o-18:0)
TG(24:1(15Z)/22:1(13Z)/20:2n6)
TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
PE(18:1(9Z)/18:3(6Z,9Z,12Z))
TG(18:3(9Z,12Z,15Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/15:0/22:4(7Z,10Z,13Z,16Z))
PC(18:1(9Z)/16:0)
DG(16:1n7/0:0/22:6n3)
TG(20:2n6/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
Galactosylglycerol
TG(18:1(11Z)/o-18:0/18:1(11Z))
TG(14:1(9Z)/20:2n6/o-18:0)
TG(14:1(9Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
PI(16:0/18:2(9Z,12Z))
Dodecanoic acid A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.
TG(16:0/22:2(13Z,16Z)/24:1(15Z))
TG(18:1(11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))
TG(14:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/20:3(5Z,8Z,11Z)/16:1(9Z))
TG(18:0/18:1(11Z)/18:2(9Z,12Z))
Bethanechol The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.
PE(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
PE(16:1(9Z)/22:2(13Z,16Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(22:2(13Z,16Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
TG(24:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PC(18:1(9Z)/14:0)
TG(15:0/18:0/14:1(9Z))
Phenylethylamine
11,12-EpETrE
DG(14:1n5/0:0/20:2n6)
TG(16:1(9Z)/22:1(13Z)/18:2(9Z,12Z))
Mannosyl-inositol-phosphorylceramide A class of complex phosphoglycosphingolipids with a mannose-inositol-P head group. As with other ceramide derivatives, substituents R(1) and R(2) vary with different sphingoid bases and fatty acyl moieties.
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:0/20:4(8Z,11Z,14Z,17Z))
5,6-Epoxy-8,11,14-eicosatrienoic acid
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
PC(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:1(9Z)/18:0)
PE(22:2(13Z,16Z)/14:0)
TG(24:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(9Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PS(20:3(8Z,11Z,14Z)/18:1(9Z))
5-Aminopentanal An aldehyde that has formula C5H11NO.
TG(15:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(14:0/16:0/20:3(5Z,8Z,11Z))
Griseofulvin Antibiotic produced by Penicillium griseofulvum.
DG(22:2(13Z,16Z)/16:0/0:0)
TG(20:1(11Z)/22:2(13Z,16Z)/18:2(9Z,12Z))
Toremifene
TG(24:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
DG(20:1(11Z)/18:0/0:0)
Hexylcaine
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:2(9Z,12Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(o-18:1(11Z)/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
DG(18:2(9Z,12Z)/14:0/0:0)
TG(24:1(15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/24:0/22:2(13Z,16Z))
TG(16:1(9Z)/24:0/o-18:0)
Pantoprazole A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2.
TG(20:2n6/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6/o-18:0)
TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
DG(20:2(11Z,14Z)/15:0/0:0)
TG(14:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
PE(16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:2(13Z,16Z)/16:0)
TG(22:2(13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
Isohyodeoxycholic acid
Ganglioside GT2 (d18:0/18:0)
TG(16:0/22:1(13Z)/18:3(6Z,9Z,12Z))
TG(20:0/24:1(15Z)/22:2(13Z,16Z))
TG(16:1(9Z)/20:1(11Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/24:0/18:3(6Z,9Z,12Z))
TG(18:0/18:0/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3n6/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/24:1(15Z)/18:1(11Z))
TG(20:0/24:1(15Z)/20:0)
TG(20:1(11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(20:1(11Z)/18:2(9Z,12Z)/0:0)
DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:0)
TG(16:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))
CDP-DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GD1a (d18:1/18:1(9Z))
TG(18:1(9Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
Estriol-17-glucuronide
TG(15:0/o-18:0/20:4(8Z,11Z,14Z,17Z))
Phenoxybenzamine
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3]
TG(20:0/22:2(13Z,16Z)/18:2(9Z,12Z))
TG(22:1(13Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/18:0/18:4(6Z,9Z,12Z,15Z))
PG(18:0/18:3(6Z,9Z,12Z))
PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
DG(20:3(5Z,8Z,11Z)/16:0/0:0)
Olsalazine
Ganglioside GM1 (18:1/12:0)
TG(20:3(5Z,8Z,11Z)/14:0/20:3n6)
TG(24:0/16:0/18:3(9Z,12Z,15Z))
Tetrahydrofolyl-[Glu](n)
TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/15:0/22:2(13Z,16Z))
PC(18:3(6Z,9Z,12Z)/24:1(15Z))
TG(22:1(13Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Brompheniramine Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.
Ganglioside GM1 (d18:0/18:1(11Z))
TG(16:0/20:2n6/22:0)
TG(20:2n6/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
L-Asparagine An optically active form of asparagine having L-configuration.
TG(18:4(6Z,9Z,12Z,15Z)/22:0/18:4(6Z,9Z,12Z,15Z))
Acetohydroxamic Acid
DG(22:4n6/0:0/22:5n3)
TG(15:0/20:3n6/18:3(9Z,12Z,15Z))
PC(16:0/20:0)
Cerulenin An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.
TG(20:3n6/20:1(11Z)/20:3n6)
TG(20:0/20:3n6/20:4(5Z,8Z,11Z,14Z))
PC(16:0/22:0)
PE(20:0/18:3(9Z,12Z,15Z))
Ganglioside GT1b (d18:1/25:0)
TG(24:0/20:0/14:1(9Z))
PC(22:0/15:0)
PC(P-16:0/18:0)
TG(22:0/20:0/20:4(5Z,8Z,11Z,14Z))
TG(18:0/20:3n6/22:4(7Z,10Z,13Z,16Z))
D-Galactose
DG(16:0/18:3(6Z,9Z,12Z)/0:0)
TG(16:0/24:0/22:2(13Z,16Z))
TG(18:0/14:0/20:2n6)
Mepyramine An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.
TG(24:1(15Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/20:1(11Z)/16:1(9Z))
DG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:1(13Z))
PE(20:2(11Z,14Z)/P-18:0)
DG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))
Heparin A highly sulfated linear glycosaminoglycan comprising complex patterns of uronic acid-(1->4)-D-glucosamine repeating subunits. Used as an injectable anticoagulant, it has the highest negative charge density of any known biological molecule.
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(16:1(9Z)/22:0/22:2(13Z,16Z))
Pyrimethamine
Tiaprofenic acid An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group.
TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[iso6]
PE(20:2(11Z,14Z)/P-16:0)
PIP2(20:4(8Z,11Z,14Z,17Z)/18:0)
TG(15:0/14:0/20:1(11Z))
DG(22:1n9/0:0/22:5n6)
TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
DG(20:2(11Z,14Z)/14:0/0:0)
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:1(11Z))
TG(20:2n6/18:3(6Z,9Z,12Z)/20:2n6)
TG(16:1(9Z)/o-18:0/18:1(11Z))
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(20:0/14:1(9Z)/18:1(9Z))
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]
TG(15:0/22:2(13Z,16Z)/16:1(9Z))
TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)
TG(20:0/18:0/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GD3 (d18:0/26:1(17Z))
TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/22:0/18:1(9Z))
Ganglioside GT3 (d18:0/24:1(15Z))
Ganglioside GT1b (d18:1/23:0)
TG(15:0/22:0/18:3(6Z,9Z,12Z))
TG(24:1(15Z)/20:2n6/20:2n6)
TG(18:0/22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
Retinyl ester A carboxylic ester obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid.
PC(P-18:1(9Z)/14:1(9Z))
TG(18:0/22:1(13Z)/o-18:0)
PE(P-18:0/16:0)
TG(16:0/20:3(5Z,8Z,11Z)/22:0)
PS(20:4(5Z,8Z,11Z,14Z)/14:0)
TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/20:0/18:3(6Z,9Z,12Z))
TG(14:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:4(6Z,9Z,12Z,15Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/15:0/22:1(13Z))
TG(14:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:0/18:3(6Z,9Z,12Z))
TG(14:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/20:3(5Z,8Z,11Z)/20:0)
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
Lofexidine
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/o-18:0)
PE(P-18:0/14:0)
Galabiosylceramide (d18:1/22:0)
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/0:0)
DG(20:3n6/0:0/20:3n6)
Ganglioside GD2 (d18:1/12:0)
TG(18:0/o-18:0/18:4(6Z,9Z,12Z,15Z))
TG(24:0/22:0/20:2n6)
Ganglioside GD2 (d18:0/16:0)
TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6)
4-Methylpentanal An alpha-CH2-containing aldehyde that has formula C6H12O.
TG(18:2(9Z,12Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Galabiosylceramide (d18:1/24:0)
TG(22:1(13Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:3(5Z,8Z,11Z)/20:0)
TG(15:0/18:3(6Z,9Z,12Z)/22:1(13Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/15:0/o-18:0)
TG(20:2n6/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
TG(24:0/o-18:0/18:1(9Z))
PC(20:1(11Z)/22:0)
TG(16:0/20:1(11Z)/20:2n6)
TG(22:0/20:2n6/22:0)
PE(22:0/18:1(11Z))
TG(22:0/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(22:0/20:3n6/18:1(9Z))
TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))
TG(18:1(11Z)/22:0/22:2(13Z,16Z))
Ceramide (d18:1/12:0)
DG(16:0/0:0/18:1n9)
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
PIP2(18:1(9Z)/18:0)
TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
2-Bromoacetaldehyde An organobromine compound that has formula C2H3BrO.
TG(18:0/22:0/22:1(13Z))
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(22:2(13Z,16Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(16:0/20:3n6/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/20:0/18:4(6Z,9Z,12Z,15Z))
TG(14:0/22:2(13Z,16Z)/20:0)
TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/o-18:0)
Propoxyphene A racemate of the (1R,2R)- and (1S,2R)- diastereoisomers.
TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(20:1(11Z)/16:1(9Z)/20:1(11Z))
TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
8-oxo-dGDP A purine 2'-deoxyribonucleoside 5'-diphosphate having 8-oxoguanine as the nucleobase.
TG(20:2n6/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:1(9Z)/20:2n6)
Testosterone Propionate A steroid ester that has formula C22H32O3.
PE(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(9Z)/22:0/22:1(13Z))
Metoclopramide A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.
TG(18:3(6Z,9Z,12Z)/15:0/20:3n6)
TG(18:0/15:0/18:1(11Z))
Galactosylceramide (d18:1/18:0)
PG(18:2(9Z,12Z)/18:1(11Z))
Codeine-6-glucuronide A morphinane alkaloid that has formula C24H29NO9.
TG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
DG(20:3n9/0:0/18:2n6)
Betazole Pyrazole in which a hydrogen adjacent to one of the nitrogen atoms is substituted by a 2-aminoethyl group. It is a histamine H2-receptor agonist used clinically to test gastric secretory function.
Terbutaline A member of the class of phenylethanolamines that is catechol substuted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.
5a-Cholest-8-en-3b-ol
TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(15:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
S-(Formylmethyl)glutathione A peptide that has formula C12H19N3O7S.
TG(15:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Metocurine Iodide
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Biotin An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins.
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
Allocholic acid A bile acid that has formula C24H40O5.
PE(P-16:0/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/16:0/20:3n6)
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(22:1(13Z)/14:1(9Z)/20:2n6)
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)
TG(20:1(11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/18:0/18:1(9Z))
Mevalonic acid A dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position.
(S)-3-Hydroxyisobutyric acid A 3-hydroxyisobutyric acid that has formula C4H8O3.
TG(24:0/18:0/14:1(9Z))
TG(14:0/20:3(5Z,8Z,11Z)/20:0)
Phosphocreatine
TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]
Galactosylceramide (d18:1/26:1(17Z))
TG(22:0/16:1(9Z)/24:1(15Z))
PIP(18:2(9Z,12Z)/20:1(11Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0)
DG(14:0/0:0/18:0)
Dezocine
PC(P-16:0/24:1(15Z))
PC(22:2(13Z,16Z)/16:0)
Trihexyphenidyl
N-Acetylglutamic acid
DG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
Nelfinavir
TG(18:0/20:0/22:4(7Z,10Z,13Z,16Z))
TG(15:0/16:1(9Z)/20:3(5Z,8Z,11Z))
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
MG(0:0/20:1(11Z)/0:0)
TG(20:3(5Z,8Z,11Z)/18:1(11Z)/24:1(15Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/o-18:0)
TG(18:2(9Z,12Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/24:0/22:2(13Z,16Z))
PC(22:2(13Z,16Z)/14:0)
Biocytin A monocarboxylic acid amide that results from the formal condensation of the carboxylic acid group of biotin with the N(6)-amino group of L-lysine.
Perhexiline
TG(20:2n6/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/22:2(13Z,16Z)/18:1(11Z))
TG(24:1(15Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/16:0/16:0)
TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Orotidylic acid
Adenosylcobalamin
PI(20:3(8Z,11Z,14Z)/16:0)
Trospium
TG(14:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:3(6Z,9Z,12Z)/18:1(11Z))
CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))
Pectic acid An polyanionic polymer obtained by global deprotonation of the carboxy groups of pectin.
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
(S)-p-Mentha-1,8-dien-7-ol
TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/24:1(15Z)/22:1(13Z))
TG(20:1(11Z)/22:2(13Z,16Z)/o-18:0)
PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
D-1-Piperideine-2-carboxylic acid
PI(22:4(10Z,13Z,16Z,19Z)/16:0)
PS(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
TG(22:0/o-18:0/24:0)
PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
DG(18:2(9Z,12Z)/16:1(9Z)/0:0)
TG(22:1(13Z)/20:2n6/20:2n6)
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
Tetrahexosylceramide (d18:1/25:0)
Coniferyl alcohol
PIP2(18:1(9Z)/16:1(9Z))
TG(18:0/18:3(9Z,12Z,15Z)/18:1(11Z))
TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(20:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Heparan sulfate A linear polysaccharide in which the backbone consists of a variably sulfated repeating disaccharide unit.
TG(18:0/20:2n6/18:1(9Z))
Trandolapril
TG(24:1(15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)
TG(16:1(9Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(9Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(18:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)
DG(20:0/18:0/0:0)
Sotalol A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is sustituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.
TG(14:0/16:1(9Z)/20:2n6)
PG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:0/16:1(9Z)/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/20:1(11Z)/20:3(5Z,8Z,11Z))
Diethylthiophosphate
TG(20:1(11Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PI(16:1(9Z)/18:1(9Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/20:3n6)
TG(14:0/14:1(9Z)/18:0)
PS(16:0/16:1(9Z))
Clobazam
TG(20:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z))
PC(P-16:0/20:3(8Z,11Z,14Z))
TG(18:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(18:3(9Z,12Z,15Z)/P-16:0)
PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/15:0/18:1(11Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
TG(14:0/20:1(11Z)/18:0)
TG(22:0/18:1(9Z)/20:2n6)
PE(16:0/P-18:1(11Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(24:1(15Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
PC(P-18:1(9Z)/18:1(11Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/24:0/18:2(9Z,12Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/14:1(9Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/o-18:0/15:0)
TG(22:0/20:3(5Z,8Z,11Z)/18:1(11Z))
TG(22:1(13Z)/24:0/22:4(7Z,10Z,13Z,16Z))
DG(18:0/14:1(9Z)/0:0)
TG(24:0/22:2(13Z,16Z)/16:1(9Z))
Ganglioside GD1b (d18:0/18:1(9Z))
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(P-18:1(11Z)/16:1(9Z))
Lactosamine A disaccharide that consists of D-glucosamine having a beta-D-galactosyl residue attached at position 4.
CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
PE(20:2(11Z,14Z)/18:1(11Z))
TG(20:1(11Z)/20:2n6/20:4(8Z,11Z,14Z,17Z))
TG(20:3n6/14:0/o-18:0)
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(16:0/20:3(5Z,8Z,11Z)/16:0)
TG(16:0/18:0/20:3n6)
PS(18:2(9Z,12Z)/14:1(9Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/15:0/18:3(6Z,9Z,12Z))
TG(15:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:1(9Z)/14:0/24:1(15Z))
PS(14:0/14:0)
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
DG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG(18:0/20:4(8Z,11Z,14Z,17Z)/24:0)
PE(20:2(11Z,14Z)/P-18:1(11Z))
DG(20:2(11Z,14Z)/20:1(11Z)/0:0)
PC(18:3(9Z,12Z,15Z)/18:0)
TG(16:0/15:0/22:0)
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
Minoxidil A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.
R-95913
TG(20:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:2n6)
Nicotine glucuronide
TG(22:1(13Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/14:0/24:1(15Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/0:0)
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/20:4(5Z,8Z,11Z,14Z)/24:0)
DG(22:0/0:0/22:6n3)
TG(20:0/22:1(13Z)/24:0)
TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
Amaranthin A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1->2)-beta-D-glucosyl moiety is attached at position 5.
Ganglioside GD3 (d18:1/26:1(17Z))
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
TG(18:0/18:3(6Z,9Z,12Z)/24:1(15Z))
PE(P-18:0/24:0)
TG(24:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/22:2(13Z,16Z)/22:2(13Z,16Z))
PC(18:0/22:0)
TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
Creatine
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GD1a (d18:0/12:0)
TG(18:3(6Z,9Z,12Z)/24:0/20:4(5Z,8Z,11Z,14Z))
Cholestenone
TG(22:2(13Z,16Z)/20:2n6/o-18:0)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
TG(22:0/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/15:0/22:2(13Z,16Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(18:2(9Z,12Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
PE(18:3(9Z,12Z,15Z)/22:1(13Z))
TG(18:1(9Z)/14:0/22:1(13Z))
TG(14:0/20:0/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
5-Hydroxy-6-methoxyindole glucuronide
PE(18:3(9Z,12Z,15Z)/18:0)
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(14:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/18:0/o-18:0)
TG(22:0/22:2(13Z,16Z)/24:0)
TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(18:0/20:0)
TG(20:2n6/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
TG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)
TG(20:3(5Z,8Z,11Z)/14:0/20:4(5Z,8Z,11Z,14Z))
TG(20:0/22:0/22:1(13Z))
TG(16:1(9Z)/20:0/20:1(11Z))[iso6]
TG(22:2(13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))
TG(24:0/24:0/20:4(5Z,8Z,11Z,14Z))
TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))[iso3]
TG(18:1(9Z)/16:0/22:1(13Z))
Dimethylsulfide A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae.
TG(16:0/22:0/18:3(6Z,9Z,12Z))
TG(16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:2(11Z,14Z)/24:1(15Z))
27-Hydroxycholesterol
TG(18:1(11Z)/15:0/22:4(7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Fondaparinux sodium An organic sodium salt, being the decasodium salt of fondaparinux.
PE(15:0/20:0)
TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
Ganglioside GQ1c (d18:1/14:0)
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
PS(14:0/18:3(9Z,12Z,15Z))
Primaquine A N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.
PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/o-18:0/24:1(15Z))
PE(20:0/20:2(11Z,14Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
TG(16:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:3n6/o-18:0)
PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
LysoPE(0:0/16:0)
DG(20:4n3/0:0/22:6n3)
Fospropofol
PC(P-18:1(11Z)/18:1(9Z))
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
Phenylbutazone A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.
TG(22:0/16:0/18:1(11Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(18:3(6Z,9Z,12Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/18:2(9Z,12Z)/14:0)
5(S)-Hydroperoxyeicosatetraenoic acid
Probenecid
PE(24:0/20:0)
TG(18:3(9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/o-18:0)
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
TG(15:0/18:1(9Z)/18:0)
TG(14:0/18:2(9Z,12Z)/16:0)
TG(24:1(15Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0)
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(14:1(9Z)/22:0/22:1(13Z))
PE(P-18:0/20:3(5Z,8Z,11Z))
TG(14:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(18:3(6Z,9Z,12Z)/14:0)
PE(24:1(15Z)/20:2(11Z,14Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(24:1(15Z)/16:0/20:2n6)
TG(20:3(5Z,8Z,11Z)/14:0/20:3(5Z,8Z,11Z))
TG(22:2(13Z,16Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:1(13Z)/22:1(13Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(24:0/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
PE(22:1(13Z)/20:0)
TG(18:1(9Z)/18:2(9Z,12Z)/24:1(15Z))
TG(22:0/18:3(9Z,12Z,15Z)/18:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
PI(20:3(5Z,8Z,11Z)/18:1(9Z))
TG(20:2n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:1(11Z)/20:0/20:4(5Z,8Z,11Z,14Z))
TG(18:0/22:2(13Z,16Z)/20:3(5Z,8Z,11Z))
TG(20:2n6/22:0/20:4(5Z,8Z,11Z,14Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
Chloroprocaine Procaine in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine. It is used as its monohydrochloride salt as a local anaesthetic, particularly for oral surgery. It has the advantage over lidocaine of constricting blood vessels, so reducing bleeding.
TG(22:1(13Z)/20:1(11Z)/22:2(13Z,16Z))
Cytarabine A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond.
TG(15:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
PE(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione A peptide that has formula C12H19Cl2N3O7S.
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
DG(16:0/0:0/18:2n6)
TG(22:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
Malonic acid An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
7 alpha,26-Dihydroxy-4-cholesten-3-one
DG(20:0/18:1(11Z)/0:0)
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
TG(18:0/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/20:0/18:3(6Z,9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(18:4(6Z,9Z,12Z,15Z)/15:0)
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/22:1(13Z)/22:2(13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/24:0/22:4(7Z,10Z,13Z,16Z))
3b-Hydroxy-5-cholenoic acid
D-Maltose
DG(24:1n9/0:0/20:4n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Hexanoylglycine
TG(16:0/o-18:0/24:0)
PC(22:0/20:0)
TG(14:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/24:0/20:4(8Z,11Z,14Z,17Z))
PG(18:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/14:0/18:2(9Z,12Z))[iso6]
PC(20:1(11Z)/P-18:1(11Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
Phenindamine
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)
PC(18:2(9Z,12Z)/14:1(9Z))
PG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/20:0/18:2(9Z,12Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
TG(16:1(9Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(22:0/20:2n6/20:2n6)
TG(15:0/24:1(15Z)/22:2(13Z,16Z))
Glucaric acid A hexaric acid derived by oxidation of sugar such as glucose with nitric acid.
TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
PE(18:0/22:2(13Z,16Z))
Canavanine
DG(16:0/18:4(6Z,9Z,12Z,15Z)/0:0)
TG(14:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/20:2n6/16:1(9Z))
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
TG(14:1(9Z)/22:2(13Z,16Z)/16:1(9Z))
TG(22:1(13Z)/22:1(13Z)/22:1(13Z))
TG(22:1(13Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
DG(18:1n9/0:0/22:5n6)
PC(20:1(11Z)/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/18:2(9Z,12Z)/22:1(13Z))
PC(P-18:0/18:3(9Z,12Z,15Z))
TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
Ganglioside GA2 (d18:1/18:0)
TG(15:0/14:1(9Z)/16:0)
DG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)
TG(24:1(15Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/24:0/18:4(6Z,9Z,12Z,15Z))
2-Methylhippuric acid
PE(18:0/18:2(9Z,12Z))
TG(20:1(11Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/20:3n6/o-18:0)
TG(14:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))
TG(20:3(5Z,8Z,11Z)/20:0/20:3n6)
TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(16:0/15:0/22:2(13Z,16Z))
TG(24:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))
all-trans-Decaprenyl diphosphate A decaprenyl diphosphate having (E)-stereochemistry exclusively in the double bonds.
TG(20:3n6/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
DG(18:1n7/0:0/20:4n6)
TG(16:1(9Z)/18:1(9Z)/20:3n6)
TG(18:1(11Z)/20:1(11Z)/20:1(11Z))
TG(20:3n6/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/14:0/18:3(9Z,12Z,15Z))
TG(24:0/15:0/16:1(9Z))
TG(24:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/14:1(9Z)/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
DG(15:0/0:0/22:5n6)
TG(20:3n6/24:1(15Z)/o-18:0)
TG(15:0/15:0/20:3n6)
TG(18:3(9Z,12Z,15Z)/18:1(11Z)/o-18:0)
PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GM2 (d18:1/14:0)
Dexbrompheniramine The (pharmacologically active) (S)-(+)-enantiomer of brompheniramine. A histamine H1 receptor antagonist, it is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.
TG(18:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/15:0/22:1(13Z))
TG(14:0/20:0/24:1(15Z))
TG(22:0/15:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
PC(18:1(9Z)/P-18:0)
N-Acetylglutamine
TG(22:0/20:1(11Z)/24:1(15Z))
TG(15:0/16:1(9Z)/24:1(15Z))
TG(24:0/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/16:0/20:4(8Z,11Z,14Z,17Z))
DG(20:3n9/0:0/20:2n6)
TG(16:1(9Z)/14:0/18:1(11Z))[iso6]
TG(20:0/20:1(11Z)/20:2n6)
Ganglioside GM2 (d18:1/12:0)
Phosphite
TG(20:2n6/22:2(13Z,16Z)/20:2n6)
PI(18:3(9Z,12Z,15Z)/18:1(9Z))
DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
TG(14:0/20:1(11Z)/o-18:0)
TG(18:0/18:0/16:1(9Z))
DG(20:0/0:0/18:1n9)
DG(18:1n7/0:0/18:3n3)
PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
UDP-D-galacturonate
TG(20:3(5Z,8Z,11Z)/20:0/20:2n6)
DG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/0:0)
Ganglioside GM1 (d18:1/14:0)
PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3]
TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PIP2(18:2(9Z,12Z)/20:1(11Z))
TG(18:3(6Z,9Z,12Z)/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/14:1(9Z)/18:1(9Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(18:1(9Z)/22:0/22:2(13Z,16Z))
TG(20:2n6/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/20:2n6)
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:2n6)
TG(14:0/20:0/14:1(9Z))
TG(20:2n6/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
TG(18:2(9Z,12Z)/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/14:0/20:3(5Z,8Z,11Z))
PC(P-18:1(9Z)/20:1(11Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(22:0/20:3(5Z,8Z,11Z)/18:1(9Z))
TG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(9Z,12Z,15Z)/24:0/18:3(9Z,12Z,15Z))
PIP(22:4(7Z,10Z,13Z,16Z)/16:0)
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(22:2(13Z,16Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))
TG(14:0/20:2n6/16:1(9Z))
2-Hydroxyphenethylamine
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(24:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/22:2(13Z,16Z)/20:2n6)
PE(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
TG(16:1(9Z)/20:3n6/18:2(9Z,12Z))
PE(P-18:1(9Z)/20:3(8Z,11Z,14Z))
Trimeprazine
PC(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
TG(18:1(9Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
PE(22:1(13Z)/20:3(5Z,8Z,11Z))
Perillic acid A cyclohexenecarboxylic acid that has formula C10H14O2.
TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(24:1(15Z)/22:1(13Z)/20:3n6)
TG(16:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
PE(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
TG(22:1(13Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/20:2n6/22:2(13Z,16Z))
TG(18:1(9Z)/22:0/20:2n6)
TG(16:0/16:0/18:1(9Z))[iso3]
N-Desmethyltamoxifen A stilbenoid that has formula C25H27NO.
TG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(20:0/18:4(6Z,9Z,12Z,15Z)/0:0)
CDP-DG(18:0/18:1(11Z))
PE(18:3(9Z,12Z,15Z)/P-18:1(11Z))
Propafenone An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.
TG(16:0/20:0/22:0)
PI(18:1(11Z)/16:1(9Z))
TG(22:1(13Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/20:3n6/22:4(7Z,10Z,13Z,16Z))
DG(24:1(15Z)/20:3(5Z,8Z,11Z)/0:0)
Estrone glucuronide
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6]
TG(18:1(11Z)/20:3n6/20:1(11Z))
TG(22:0/15:0/18:4(6Z,9Z,12Z,15Z))
PC(18:4(6Z,9Z,12Z,15Z)/16:0)
TG(22:0/14:1(9Z)/20:3(5Z,8Z,11Z))
PE(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))
2-Methylpropan-2-ol A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2.
TG(15:0/18:1(9Z)/20:1(11Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/18:1(9Z)/20:1(11Z))[iso6]
Cyclic AMP
TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))
Salmeterol
PE(18:1(11Z)/22:2(13Z,16Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)
TG(15:0/20:3(5Z,8Z,11Z)/20:2n6)
TG(14:1(9Z)/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
PIP2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
TG(16:0/20:0/24:0)
TG(18:0/18:2(9Z,12Z)/14:1(9Z))
N-Dealkylated tolterodine
PE(P-18:0/18:2(9Z,12Z))
PA(16:0/18:2(9Z,12Z))
N-Acetylmuramate
TG(16:1(9Z)/24:0/18:3(9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(20:4(8Z,11Z,14Z,17Z)/16:0/20:4(8Z,11Z,14Z,17Z))
TG(20:3n6/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PIP(18:2(9Z,12Z)/20:2(11Z,14Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:0/18:1(11Z)/o-18:0)
TG(20:0/20:2n6/24:1(15Z))
TG(22:0/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(24:0/24:0/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(16:0/22:1(13Z)/0:0)
PC(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(P-18:1(9Z)/20:0)
CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/18:0/20:4(5Z,8Z,11Z,14Z))
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
Indinavir
TG(15:0/24:0/18:2(9Z,12Z))
TG(15:0/22:2(13Z,16Z)/18:1(11Z))
TG(18:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))
PE(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/15:0/24:1(15Z))
TG(14:0/22:1(13Z)/24:0)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
DG(18:0/18:3(6Z,9Z,12Z)/0:0)
PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))
N-Methylphenylethanolamine An alkaloid that is ethanolamine having the phenyl group at the 1-position and a methyl group attached to the nitrogen. It has been isolated from Halostachys caspica.
TG(18:3(6Z,9Z,12Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/14:1(9Z)/18:1(11Z))
TG(20:1(11Z)/20:1(11Z)/22:2(13Z,16Z))
TG(18:0/14:0/20:3(5Z,8Z,11Z))
Deoxyribose
TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z))
TG(15:0/15:0/22:2(13Z,16Z))
Rosuvastatin
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Glycylproline
TG(20:1(11Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/22:2(13Z,16Z)/20:1(11Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/20:3n6/24:0)
TG(20:3n6/18:0/20:4(5Z,8Z,11Z,14Z))
TG(22:0/20:1(11Z)/22:0)
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
Trimethyl sulfonium A sulfonium compound in which the substituents on sulfur are three methyl groups. It is found in the midgut gland of the sea hare, Aplysia brasiliana, and exhibits probable ability to inhibit cholinergic responses.
TG(22:1(13Z)/20:0/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(14:1(9Z)/22:0/0:0)
PE(P-18:1(11Z)/24:1(15Z))
PE(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Estradiol-17alpha 3-D-glucuronoside
Citalopram propionic acid A benzene that has formula C18H14FNO3.
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))
TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(16:0/18:3(6Z,9Z,12Z)/16:0)
TG(14:1(9Z)/16:1(9Z)/18:1(11Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)
TG(18:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
PE(P-18:1(11Z)/24:0)
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Chlormezanone
TG(14:1(9Z)/14:1(9Z)/o-18:0)
TG(22:2(13Z,16Z)/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:4n3/0:0/20:4n3)
PE(P-18:1(11Z)/22:0)
TG(18:0/20:1(11Z)/14:1(9Z))
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/o-18:0)
TG(15:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/18:3(9Z,12Z,15Z)/22:0)
TG(18:1(9Z)/16:0/18:3(6Z,9Z,12Z))
TG(20:2n6/15:0/22:4(7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:2n6)
TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/14:0/16:1(9Z))[iso6]
TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:0/o-18:0)
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(20:0/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
Aflatoxin B1exo-8,9-epoxide-GSH
Vildagliptin
TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/20:3(5Z,8Z,11Z)/20:2n6)
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/o-18:0/24:1(15Z))
TG(20:3n6/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(22:0/20:4(5Z,8Z,11Z,14Z))
PC(15:0/22:0)
Oxiconazole
TG(14:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(20:2(11Z,14Z)/24:0)
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)
DG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
11-Oxo-androsterone glucuronide
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
PE(16:0/18:0)
TG(18:1(9Z)/22:2(13Z,16Z)/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(20:3n6/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/22:1(13Z)/18:2(9Z,12Z))
PE(18:1(9Z)/15:0)
DG(16:0/0:0/22:2n6)
TG(14:0/20:2n6/20:1(11Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
2-Oxoclopidogrel
TG(22:0/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(20:0/15:0/20:1(11Z))
TG(20:2n6/15:0/20:4(5Z,8Z,11Z,14Z))
TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
PE(18:0/20:4(8Z,11Z,14Z,17Z))
TG(16:0/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(14:0/18:1(11Z)/22:0)
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
L-Alanine The L-enantiomer of alanine.
TG(18:0/15:0/22:0)
PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
DG(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0)
PE(20:3(8Z,11Z,14Z)/20:1(11Z))
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/24:0/22:4(7Z,10Z,13Z,16Z))
Ganglioside GM1 (d18:0/26:1(17Z))
PC(16:0/20:4(5Z,8Z,11Z,14Z))
Risperidone A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.
TG(18:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
cyclic GMP-AMP An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of c-GMP-AMP; major species at pH 7.3.
TG(20:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Lycopene An acyclic carotene commonly obtained from tomatoes and other red fruits.
DG(20:1(11Z)/24:0/0:0)
TG(18:2(9Z,12Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))
TG(24:1(15Z)/20:2n6/20:3n6)
Lenalidomide
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(24:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:3n6)
PC(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
TG(14:0/18:1(11Z)/20:0)
TG(18:1(11Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PIP(18:0/16:1(9Z))
TG(20:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:1(13Z))
PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))
TG(18:3(9Z,12Z,15Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
PC(o-22:0/20:1(11Z))
TG(20:0/20:0/18:1(11Z))
TG(16:0/20:1(11Z)/22:1(13Z))
PE(20:4(5Z,8Z,11Z,14Z)/15:0)
TG(20:3(5Z,8Z,11Z)/20:3n6/24:1(15Z))
TG(18:0/16:1(9Z)/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/22:0/20:3(5Z,8Z,11Z))
Aflatoxin B1 diol A coumarin that has formula C17H14O8.
TG(16:1(9Z)/20:2n6/20:3n6)
TG(18:1(9Z)/o-18:0/18:2(9Z,12Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(16:1(9Z)/24:1(15Z))
TG(20:2n6/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
TG(22:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
Remoxipride
TG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/15:0/24:1(15Z))
Acetoacetic acid A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent.
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
DG(18:0/0:0/22:4n6)
DG(24:0/16:0/0:0)
TG(18:0/20:2n6/20:3(5Z,8Z,11Z))
TG(20:1(11Z)/24:1(15Z)/20:2n6)
PIP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))
TG(18:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/24:0/18:3(9Z,12Z,15Z))
PIP2(16:0/22:4(7Z,10Z,13Z,16Z))
Phenazopyridine
11b-PGF2a
PC(P-18:1(11Z)/15:0)
TG(20:0/20:3n6/o-18:0)
Phenindione
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/o-18:0/22:2(13Z,16Z))
Methionine sulfoxide
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:2n6/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GQ1c (d18:1/24:0)
PS(16:0/18:1(9Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
CDP-DG(18:1(11Z)/18:1(11Z))
TG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/18:1(9Z)/20:3n6)
Ganglioside GT3 (d18:0/14:0)
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(14:0/18:3(9Z,12Z,15Z)/16:1(9Z))
TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)
DG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
Pipecolic acid A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2.
PI(18:2(9Z,12Z)/20:0)
CDP-DG(18:0/22:3(10Z,13Z,16Z))
TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:1(11Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/20:2n6/18:2(9Z,12Z))
DG(14:0/0:0/18:1n9)
TG(15:0/16:1(9Z)/14:1(9Z))
Ganglioside GQ1c (d18:1/26:0)
TG(16:0/22:0/16:1(9Z))
TG(14:1(9Z)/18:0/18:2(9Z,12Z))
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/15:0/22:2(13Z,16Z))
DG(16:0/14:1(9Z)/0:0)
(R)-3-Hydroxydodecanoic acid
PC(16:1(9Z)/20:3(8Z,11Z,14Z))
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
(2R)-2-Hydroxy-2-methylbutanenitrile The (2R)-enantiomer of 2-hydroxy-2-methylbutanenitrile.
TG(16:0/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:0/20:0)[iso3]
PIP(16:0/20:2(11Z,14Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Fluticasone Propionate A trifluorinated corticosteroid that consits of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity.
TG(20:2n6/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
(R)-3-Hydroxyoctanoic acid The (R)-enantiomer of 3-hydroxyoctanoic acid; an important building block in the biomedical and pharmaceutical fields.
Aminosalicylic Acid
TG(14:0/20:3n6/15:0)
TG(18:0/o-18:0/18:1(9Z))
TG(22:1(13Z)/14:1(9Z)/20:3n6)
TG(20:3n6/22:2(13Z,16Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6)
PE(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/18:0/18:1(11Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))
TG(20:3n6/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Phosphatidylserine
TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6]
Pipotiazine
TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Alclometasone A prednisolone compound having an alpha-chloro substituent at the 7-position and an alpha-methyl substituent at the 16-position.
TG(20:3n6/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
Methazolamide
TG(18:1(9Z)/18:2(9Z,12Z)/o-18:0)
TG(16:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))
7-Hydroxygliclazide
Oxacillin A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6.
TG(20:0/24:1(15Z)/o-18:0)
Testosterone glucuronide
PE(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
TG(16:0/20:0/20:3(5Z,8Z,11Z))
DG(20:1n9/0:0/24:1n9)
TG(18:1(9Z)/18:0/18:2(9Z,12Z))
PC(o-18:0/18:0)
TG(15:0/22:2(13Z,16Z)/22:0)
TG(14:1(9Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:0/18:3(9Z,12Z,15Z))
TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(20:3n6/18:1(11Z)/20:3n6)
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
TG(14:0/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/16:1(9Z)/22:2(13Z,16Z))
Fenoprofen Propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding.
TG(15:0/22:2(13Z,16Z)/20:0)
PS(16:0/18:2(9Z,12Z))
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(22:2(13Z,16Z)/14:0/18:4(6Z,9Z,12Z,15Z))
Guanosine 3',5'-bis(diphosphate) A guanosine bisphosphate having diphosphate groups at both the 3' and 5'-positions.
TG(16:0/14:1(9Z)/16:0)
DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)
TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
Ganglioside GM1 (d18:1/25:0)
TG(14:0/20:3(5Z,8Z,11Z)/24:1(15Z))
Methanol
PG(16:1(9Z)/18:3(9Z,12Z,15Z))
MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(24:0/20:1(11Z)/18:1(11Z))
PA(P-16:0e/18:2(9Z,12Z))
TG(18:1(9Z)/20:3n6/20:3n6)
TG(16:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
Lactosylceramide (d18:1/12:0)
TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(16:0/20:1(11Z)/20:1(11Z))[iso3]
TG(14:1(9Z)/22:2(13Z,16Z)/20:2n6)
Ganglioside GD1b (d18:1/26:0)
PE(22:1(13Z)/P-18:1(9Z))
PI(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(24:1(15Z)/24:1(15Z)/18:2(9Z,12Z))
TG(16:0/18:1(9Z)/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2n6)
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
DG(22:0/0:0/18:1n9)
Tubocurarine
TG(18:2(9Z,12Z)/22:0/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/22:2(13Z,16Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:3n6)
TG(14:1(9Z)/o-18:0/18:3(9Z,12Z,15Z))
TG(18:2(9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/20:3n6/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Caprylic acid
TG(22:0/18:1(11Z)/18:1(9Z))
PE(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/14:1(9Z)/18:1(9Z))
TG(18:0/18:1(9Z)/14:1(9Z))
PC(24:1(15Z)/18:3(6Z,9Z,12Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
D-Xylulose 1-phosphate
TG(18:1(11Z)/18:2(9Z,12Z)/20:1(11Z))
TG(18:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
PC(22:1(13Z)/18:0)
Dihydropteridine
TG(20:2n6/24:0/20:2n6)
PC(18:2(9Z,12Z)/20:0)
DG(22:1(13Z)/18:3(6Z,9Z,12Z)/0:0)
TG(24:1(15Z)/24:0/24:1(15Z))
TG(14:1(9Z)/18:0/24:1(15Z))
Almotriptan
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/24:0/22:1(13Z))
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Trimetrexate
TG(14:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
LysoPC(22:2(13Z,16Z))
TG(24:0/20:3n6/18:3(6Z,9Z,12Z))
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:2(13Z,16Z))
TG(20:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(15:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/18:1(9Z)/o-18:0)
PI(16:0/20:3(8Z,11Z,14Z))
TG(16:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/14:0/18:4(6Z,9Z,12Z,15Z))
PE(22:1(13Z)/18:2(9Z,12Z))
TG(24:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/15:0/20:4(5Z,8Z,11Z,14Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))
Norelgestromin
Amrinone
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:0/20:4(8Z,11Z,14Z,17Z))
DG(24:0/0:0/20:4n6)
TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/0:0)
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
TG(16:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:0/20:4(5Z,8Z,11Z,14Z))
TG(20:0/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:2n6/14:1(9Z)/o-18:0)
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
Tofisopam
Ganglioside GM1 (18:1/20:0)
TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/20:3n6/24:1(15Z))
TG(16:1(9Z)/18:1(9Z)/22:1(13Z))
DG(18:0/22:1(13Z)/0:0)
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(20:3(5Z,8Z,11Z)/15:0/22:4(7Z,10Z,13Z,16Z))
TG(15:0/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))
Cephaloglycin
Amifostine An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.
TG(14:1(9Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PI(20:3(8Z,11Z,14Z)/18:0)
TG(24:0/16:1(9Z)/22:1(13Z))
Sandosaponin B
Sandosaponin A
TG(15:0/24:1(15Z)/24:0)
DG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG(18:0/0:0/14:1n5)
TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Citrulline
DG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/0:0)
TG(16:0/20:1(11Z)/22:2(13Z,16Z))
TG(22:1(13Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/20:4(8Z,11Z,14Z,17Z)/24:0)
TG(18:3(6Z,9Z,12Z)/14:0/22:4(7Z,10Z,13Z,16Z))
Deoxyuridine triphosphate
TG(20:3n6/18:1(9Z)/18:3(9Z,12Z,15Z))
DG(24:0/20:4(8Z,11Z,14Z,17Z)/0:0)
Hesperetin A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.
Dolichyl beta-D-mannosyl phosphate
PC(P-18:1(9Z)/18:2(9Z,12Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))
TG(15:0/16:1(9Z)/18:3(6Z,9Z,12Z))
TG(20:2n6/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PIP2(18:0/18:2(9Z,12Z))
DG(15:0/0:0/18:4n3)
TG(24:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
Dolichol phosphate
TG(20:4(8Z,11Z,14Z,17Z)/20:0/20:4(8Z,11Z,14Z,17Z))
PE(P-18:0/20:3(8Z,11Z,14Z))
TG(18:1(11Z)/22:2(13Z,16Z)/20:1(11Z))
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
DG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(18:1(9Z)/20:3n6/22:2(13Z,16Z))
Imidazole
PE(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))
PS(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
Amoxicillin A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.
TG(20:3(5Z,8Z,11Z)/15:0/20:3(5Z,8Z,11Z))
TG(22:1(13Z)/18:1(11Z)/18:3(9Z,12Z,15Z))
TG(22:0/22:1(13Z)/22:1(13Z))
Ganglioside GQ1c (d18:0/16:0)
trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA An organic molecule that has formula C31H50N7O17P3S.
TG(16:0/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
5b-Dihydrotestosterone
TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
TG(20:2n6/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:4(5Z,8Z,11Z,14Z)/P-16:0)
PC(20:1(11Z)/P-18:1(9Z))
PE(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(18:1(11Z)/18:2(9Z,12Z))
TG(16:0/24:1(15Z)/18:3(9Z,12Z,15Z))
11b,17a,21-Trihydroxypreg-nenolone
TG(15:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/18:0/o-18:0)
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
TG(16:0/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
PS(18:1(9Z)/16:1(9Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:0/22:4(7Z,10Z,13Z,16Z)/16:0)
TG(22:4(7Z,10Z,13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(16:1(9Z)/18:3(9Z,12Z,15Z)/0:0)
TG(14:1(9Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PE(18:1(9Z)/18:2(9Z,12Z))
TG(14:1(9Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GQ1c (d18:0/14:0)
TG(18:2(9Z,12Z)/24:0/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
N-Acetyllactosamine A beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre.
TG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:1(13Z)/20:3n6)
TG(18:0/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/24:0/18:3(9Z,12Z,15Z))
TG(24:0/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/18:0/o-18:0)
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
CL(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
MG(18:3(6Z,9Z,12Z)/0:0/0:0)
TG(16:1(9Z)/22:2(13Z,16Z)/20:3n6)
Porphinehexacarboxylic acid
Cholestane-3,7,12,25-tetrol-3-glucuronide
TG(14:0/24:1(15Z)/24:0)
TG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
LysoPC(20:2(11Z,14Z))
PC(20:3(5Z,8Z,11Z)/14:1(9Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(20:3(5Z,8Z,11Z)/14:0)
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PC(18:0/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/22:1(13Z)/14:1(9Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
D-Tartaric acid The D-enantiomer of tartaric acid.
DG(20:3(5Z,8Z,11Z)/18:0/0:0)
DG(15:0/0:0/16:1n7)
Selenocystathionine A member of the class of cystathionines derived from homoselenocysteine and serine residues joined by a selenide bond.
TG(24:1(15Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/18:1(11Z)/20:2n6)
TG(18:0/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(20:1n9/0:0/20:3n6)
TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Adenosine A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond.
TG(14:1(9Z)/24:0/22:1(13Z))
TG(16:0/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
DG(16:1(9Z)/18:1(9Z)/0:0)
TG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
2-Hydroxychlorpropamide
TG(18:1(11Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/20:1(11Z)/20:3n6)
Deoxycholic acid 3-glucuronide
TG(16:0/20:1(11Z)/18:1(9Z))
CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0)
TG(18:1(11Z)/15:0/o-18:0)
TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)
TG(20:0/20:0/20:3n6)
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(16:1(9Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
1D-Myo-inositol 1,4-bisphosphate A myo-inositol bisphosphate that has formula C6H14O12P2.
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:2(9Z,12Z))
TG(18:1(11Z)/20:3n6/22:2(13Z,16Z))
Trichloroethylene
DG(22:1n9/0:0/18:3n3)
DG(22:0/18:2(9Z,12Z)/0:0)
TG(20:1(11Z)/15:0/20:4(8Z,11Z,14Z,17Z))
PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(20:4(8Z,11Z,14Z,17Z)/18:0)
TG(22:1(13Z)/22:2(13Z,16Z)/20:2n6)
TG(20:3(5Z,8Z,11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/22:0/18:1(11Z))
TG(15:0/22:1(13Z)/18:3(6Z,9Z,12Z))
TG(20:0/14:0/14:1(9Z))
PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))
TG(14:1(9Z)/15:0/20:3(5Z,8Z,11Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(9Z)/18:1(9Z)/20:3n6)
PE(20:3(8Z,11Z,14Z)/20:0)
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(18:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/18:0/22:2(13Z,16Z))
Risedronate
DG(18:3(9Z,12Z,15Z)/15:0/0:0)
TG(16:1(9Z)/24:0/24:1(15Z))
DG(14:1(9Z)/20:2(11Z,14Z)/0:0)
DG(20:4(5Z,8Z,11Z,14Z)/14:0/0:0)
Glutaric acid An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.
TG(18:3(6Z,9Z,12Z)/o-18:0/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/18:0/22:4(7Z,10Z,13Z,16Z))
TG(22:0/20:3n6/20:5(5Z,8Z,11Z,14Z,17Z))
PIP(18:0/18:1(9Z))
Trihydroxycoprostanoic acid
Methylhippuric acid An N-acylamino acid that is the N-benzoyl derivative of alanine.
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
PC(14:0/P-16:0)
PIP(18:1(9Z)/18:1(11Z))
TG(18:1(11Z)/20:3n6/18:1(11Z))
TG(20:3n6/24:0/18:3(9Z,12Z,15Z))
TG(24:0/18:1(9Z)/22:1(13Z))
TG(18:2(9Z,12Z)/20:3n6/18:2(9Z,12Z))
DG(18:1n9/0:0/22:4n6)
N-Acetyl-D-Glucosamine 6-Phosphate An N-acyl-D-glucosamine 6-phosphate that is the N-acetyl derivative of D-glucosamine 6-phosphate. It is a component of the aminosugar metabolism.
Amiloride A monocarboxylic acid amide that is N-carbamimidoylpyrazine-2-carboxamide substituted by amino groups at positions 3 and 5 and a chloro group at position 6.
TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Sedoheptulose 1-phosphate A ketoheptose phosphate that has formula C7H15O10P.
TG(18:2(9Z,12Z)/18:0/o-18:0)
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
3-Methyladenine A methyladenine that is adenine substituted with a methyl group at position N-3.
TG(16:0/16:1(9Z)/20:0)[iso6]
TG(22:0/20:2n6/20:3n6)
TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(15:0/20:0/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
TG(14:1(9Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(16:1(9Z)/16:1(9Z))
TG(20:3(5Z,8Z,11Z)/15:0/20:4(8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PS(16:0/14:0)
TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:3n6/22:1(13Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:1(9Z))
LysoPE(0:0/18:0)
TG(22:0/18:2(9Z,12Z)/22:1(13Z))
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(14:1(9Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/22:2(13Z,16Z)/18:1(9Z))
TG(22:2(13Z,16Z)/15:0/18:3(9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(16:0/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(20:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
trans-3-Chloroallyl aldehyde
16b-Hydroxyestrone
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:3n6)
TG(24:1(15Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/20:2n6/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
LysoPE(14:0/0:0)
TG(18:0/24:0/22:1(13Z))
TG(16:0/16:0/20:3n6)
TG(22:0/18:1(11Z)/18:3(6Z,9Z,12Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/14:1(9Z))
PIP(18:2(9Z,12Z)/20:0)
Glucosylceramide (d18:1/18:0)
PA(16:0/18:1(11Z))
PIP2(18:2(9Z,12Z)/18:0)
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:1(13Z))
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
DG(18:0/0:0/18:1n7)
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
Isodeoxycholic acid A cholanoid that has formula C24H40O4.
PE(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
DG(18:4n3/0:0/22:5n3)
TG(20:0/20:2n6/18:1(9Z))
TG(15:0/16:0/20:4(8Z,11Z,14Z,17Z))
heparan sulfate alpha-D-glucosaminide A heparan sulfate having an alpha-D-glucosaminyl residue at the non-reducing end. The heparan sulfate part consists of a variably sulfated repeating disaccharide unit.
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/18:0/18:2(9Z,12Z))[iso3]
TG(22:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))
Granisetron
TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:0/20:4(8Z,11Z,14Z,17Z))
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PC(18:0/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))
2-Methoxyestrone 3-glucuronide
Didanosine A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen.
TG(24:0/18:1(11Z)/16:1(9Z))
TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(18:1(9Z)/20:3(8Z,11Z,14Z)/0:0)
PS(18:1(9Z)/16:0)
Ceftriaxone A cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups.
TG(18:4(6Z,9Z,12Z,15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(14:0/18:0/0:0)
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
DG(20:0/14:0/0:0)
TG(22:2(13Z,16Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/18:0/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/16:0/18:1(9Z))
TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
Alcaftadine
4a-Methylzymosterol-4-carboxylic acid
Deoxyribose 1-phosphate
TG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/15:0/20:0)
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:0/22:2(13Z,16Z)/18:1(9Z))
TG(20:0/o-18:0/20:2n6)
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/22:1(13Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:0/20:3n6/24:0)
LysoPE(18:2(9Z,12Z)/0:0)
PC(18:1(9Z)/22:1(13Z))
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
PE(P-18:1(9Z)/16:0)
TG(24:1(15Z)/20:3n6/18:3(9Z,12Z,15Z))
Disopyramide A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug.
PS(18:1(9Z)/14:0)
TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/o-18:0)
TG(20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))
PE(24:0/18:1(11Z))
Prostaglandin E1 A prostaglandins E that has formula C20H34O5.
Prostaglandin E2 Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.
Atomoxetine A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.
Retinoyl b-glucuronide
TG(16:0/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
PE(15:0/P-18:0)
TG(18:0/18:2(9Z,12Z)/o-18:0)
TG(22:0/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
TG(20:1(11Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(15:0/20:2n6/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:0/18:3(9Z,12Z,15Z)/22:1(13Z))
DG(18:1(11Z)/18:2(9Z,12Z)/0:0)
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
TG(22:0/14:0/22:0)
TG(20:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
Minocycline A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.
TG(20:3n6/15:0/18:4(6Z,9Z,12Z,15Z))
DG(14:1(9Z)/18:1(9Z)/0:0)
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
TG(18:1(9Z)/22:0/20:3n6)
CE(20:3(5Z,8Z,11Z))
TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:0/18:3(9Z,12Z,15Z)/24:1(15Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
PC(o-22:0/20:4(8Z,11Z,14Z,17Z))
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6)
PE(15:0/P-16:0)
TG(14:0/14:0/18:1(11Z))
DG(15:0/15:0/0:0)
TG(18:1(11Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/20:1(11Z)/16:0)
Quinethazone
PC(20:3(8Z,11Z,14Z)/18:1(11Z))
TG(24:0/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(14:0/16:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(16:0/24:0/16:1(9Z))
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(24:0/22:1(13Z)/24:1(15Z))
DG(20:1n9/0:0/22:2n6)
TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]
PE(P-16:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/22:1(13Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PIP2(20:4(5Z,8Z,11Z,14Z)/18:0)
TG(18:0/18:3(6Z,9Z,12Z)/16:1(9Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GD1a (d18:1/24:0)
TG(18:3(6Z,9Z,12Z)/16:0/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/22:1(13Z)/20:3(5Z,8Z,11Z))
PE(20:0/14:1(9Z))
DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)
TG(24:1(15Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS(18:1(9Z)/18:2(9Z,12Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(11Z))
TG(16:1(9Z)/20:2n6/22:1(13Z))
TG(15:0/20:0/20:4(8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/o-18:0)
TG(22:0/14:0/24:0)
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:3(6Z,9Z,12Z)/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/16:1(9Z)/18:0)
Linezolid
TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(20:0/16:0/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/18:0/22:2(13Z,16Z))
PC(20:3(8Z,11Z,14Z)/20:1(11Z))
PE(P-18:1(9Z)/18:1(11Z))
PE(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
PC(P-18:1(11Z)/20:2(11Z,14Z))
Diphenylpyraline
4-Hydroxyphenyl acetate
DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(20:3(5Z,8Z,11Z)/24:0/22:1(13Z))
TG(18:1(9Z)/15:0/18:4(6Z,9Z,12Z,15Z))
DG(20:3(8Z,11Z,14Z)/20:1(11Z)/0:0)
TG(20:3n6/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
2-Aminobenzoic acid An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.
TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:1(13Z)/24:1(15Z)/24:1(15Z))
TG(20:0/22:0/o-18:0)
TG(22:0/18:3(6Z,9Z,12Z)/18:1(9Z))
TG(18:2(9Z,12Z)/22:0/o-18:0)
PC(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
TG(22:1(13Z)/14:0/24:1(15Z))
Glycerophosphocholine The glycerol phosphate ester of a phosphocholine. A nutrient with many different roles in human health.
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(20:2n6/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
SM(d18:0/20:0)
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
TG(20:1(11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
Sorbitol
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:2n6/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
Probucol
TG(24:0/o-18:0/18:4(6Z,9Z,12Z,15Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)
PC(P-18:1(11Z)/22:1(13Z))
TG(18:0/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(P-16:0/18:4(6Z,9Z,12Z,15Z))
TG(18:0/o-18:0/18:3(6Z,9Z,12Z))
TG(20:0/18:0/22:1(13Z))
Salicylate-sodium
TG(18:4(6Z,9Z,12Z,15Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
Ribose 1-phosphate
PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/16:0)
TG(22:2(13Z,16Z)/18:2(9Z,12Z)/o-18:0)
TG(22:0/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
cis-3-Chloro-2-propene-1-ol
Ganglioside GT1c (d18:1/24:0)
TG(16:1(9Z)/24:1(15Z)/20:1(11Z))
TG(24:0/22:0/20:4(5Z,8Z,11Z,14Z))
PE(22:0/20:2(11Z,14Z))
TG(16:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
TG(22:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(24:0/o-18:0/18:1(11Z))
TG(14:1(9Z)/15:0/20:1(11Z))
TG(14:1(9Z)/16:1(9Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/20:1(11Z)/18:2(9Z,12Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
4-Hydroxycyclophosphamide A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen.
TG(18:1(11Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1D-Myo-inositol 1,4,5,6-tetrakisphosphate A myo-inositol tetrakisphosphate having the four phosphate groups at the 1-, 4-, 5- and 6-positions.
DG(18:1(11Z)/18:3(6Z,9Z,12Z)/0:0)
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
PS(18:0/14:0)
Farnesylcysteine
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/15:0)
TG(22:1(13Z)/18:2(9Z,12Z)/20:3n6)
TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
Guanadrel Sulfate A sulfate salt resulting from the reaction of 2 eq. guanadrel with 1 eq. sulfuric acid. A postganglionic adrenergic blocking agent formerly used for the management of hypertension, it has been largely superseded by other drugs less likely to cause orthostatic hypotension (dizzy spells on standing up or stretching).
Sulfurous acid A sulfur oxoacid that has formula H2O3S.
TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
Clidinium The ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z))
PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:1(11Z)/18:1(11Z)/o-18:0)
TG(15:0/14:1(9Z)/24:1(15Z))
Ganglioside GM2 (d18:0/24:1(15Z))
TG(18:0/22:1(13Z)/22:2(13Z,16Z))
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:3n6)
TG(18:3(6Z,9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GT1c (d18:1/22:0)
Adenosine 3',5'-diphosphate
1-hydroxy-2-Oxopropyl tetrahydropterin
TG(18:3(6Z,9Z,12Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/24:1(15Z)/20:3n6)
Ganglioside GM1 (d18:0/12:0)
TG(18:0/24:0/24:1(15Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/22:2(13Z,16Z))
Neolactotetraose
TG(15:0/20:0/18:2(9Z,12Z))
TG(14:0/16:0/18:1(9Z))
TG(24:0/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(24:0/16:0)
TG(15:0/18:0/20:2n6)
TG(20:0/20:1(11Z)/18:1(11Z))
(R)-3-Hydroxy-tetradecanoic acid A C14, long-chain hydroxy fatty acid which plays an intermediate role in fatty acid biosynthesis.
PE(24:0/14:0)
DG(20:2(11Z,14Z)/16:0/0:0)
TG(16:0/20:3n6/18:3(6Z,9Z,12Z))
TG(16:0/16:0/24:0)
TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(20:1(11Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(P-16:0/18:3(9Z,12Z,15Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)
Hydrocortisone
TG(24:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/16:0/18:4(6Z,9Z,12Z,15Z))
Chloropyramine
TG(22:0/14:0/18:4(6Z,9Z,12Z,15Z))
Nitrofurazone
TG(14:0/18:0/20:4(5Z,8Z,11Z,14Z))
6-Hydroxyfluvastatin
TG(16:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/20:2n6/o-18:0)
TG(20:0/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
PC(16:1(9Z)/14:0)
TG(18:0/16:0/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(20:0/o-18:0/18:2(9Z,12Z))
TG(16:0/14:0/22:0)
Candoxatril The 2,3-dihydro-1H-inden-5-yl ester of the active enantiomer of candoxatrilat. Candoxatril is an orally active prodrug of candoxatrilat, a potent neutral endopeptidase (NEP, neprilysin) inhibitor used in the treatment of chronic heart failure.
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)
TG(18:3(6Z,9Z,12Z)/20:3n6/20:2n6)
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/22:0/18:3(9Z,12Z,15Z))
TG(22:0/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/14:0/20:0)
3-Hydroxybutyryl-CoA
TG(20:1(11Z)/22:2(13Z,16Z)/24:1(15Z))
TG(20:0/20:3(5Z,8Z,11Z)/14:1(9Z))
TG(14:0/22:0/18:3(6Z,9Z,12Z))
PG(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/16:1(9Z)/20:3n6)
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(24:1(15Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/18:0/18:3(9Z,12Z,15Z))
TG(18:3(9Z,12Z,15Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
Testolactone
TG(22:1(13Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(18:1(9Z)/22:0)
TG(14:0/24:0/16:1(9Z))
TG(14:1(9Z)/16:1(9Z)/16:1(9Z))
3 beta,7 alpha-Dihydroxy-5-cholestenoate A cholanoid that has formula C27H44O4.
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
Promethazine A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.
TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GT2 (d18:1/24:0)
Pentanal A fatty aldehyde composed from five carbons in a straight chain
TG(14:1(9Z)/15:0/16:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
Anagrelide A 1,5-dihydroimidazo[2,1-]quinazoline having an oxo substituent at the 2-position and chloro substituents at the 6- and 7-positions.
TG(22:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/20:3n6/o-18:0)
TG(24:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
PC(16:0/18:1(9Z))
Norepinephrine
TG(18:2(9Z,12Z)/18:0/18:2(9Z,12Z))
PE(22:1(13Z)/18:1(9Z))
TG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PC(22:0/16:0)
DG(18:3(6Z,9Z,12Z)/24:0/0:0)
TG(18:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:0/20:1(11Z)/20:3(5Z,8Z,11Z))
TG(18:0/20:2n6/22:1(13Z))
Pyrimidine The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.
7,12-Dimethylbenz[a]anthracene 5,6-oxide A dibenzooxazepine that has formula C20H16O.
TG(18:1(9Z)/20:1(11Z)/o-18:0)
Fluocinolone Acetonide A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders.
Ergothioneine A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a mercapto group. A naturally occurring metabolite of histidine with antioxidant properties; abundant in most plants and animals, obtained in animals through the diet.
3-Phosphoadenylylselenate An organoselenium compound that is adenylyl selenate with the hydroxy at position 3' replaced by a phosphate group.
TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(15:0/24:0/18:3(9Z,12Z,15Z))
PE(14:0/15:0)
PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PE(14:0/P-18:1(9Z))
DG(15:0/0:0/24:0)
Digoxin n
TG(22:2(13Z,16Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/18:1(11Z)/20:2n6)
TG(22:2(13Z,16Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(16:0/20:1(11Z))
DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
TG(22:0/14:0/o-18:0)
TG(18:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
Apraclonidine An imidazoline compound having a 4-amino-2,6-dichloroanilino group at the 2-position.
PC(22:0/14:0)
PE(16:0/18:1(11Z))
(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene A peptide that has formula C20H25N3O7S.
TG(22:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/22:1(13Z)/24:1(15Z))
Isopentanol
TG(24:1(15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
8-Oxo-dGTP A purine 2'-deoxyribonucleoside 5'-triphosphate having 8-oxo-7,8-dihydroguanine as the nucleobase.
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(22:1(13Z)/24:0/18:3(9Z,12Z,15Z))
TG(18:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/20:3n6/24:0)
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/24:1(15Z))
TG(22:1(13Z)/18:0/18:2(9Z,12Z))
TG(18:1(11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/20:2n6/20:4(5Z,8Z,11Z,14Z))
L-Tyrosine An optically active form of tyrosine having L-configuration.
TG(14:0/20:0/15:0)
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
Suberylglycine
TG(20:1(11Z)/22:1(13Z)/20:1(11Z))
PIP3(16:0/16:1(9Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
TG(18:3(6Z,9Z,12Z)/22:1(13Z)/o-18:0)
TG(20:4(5Z,8Z,11Z,14Z)/14:0/o-18:0)
TG(18:1(11Z)/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
PIP(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))
TG(18:2(9Z,12Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/18:0/18:0)[iso3]
TG(20:4(5Z,8Z,11Z,14Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/20:3n6/o-18:0)
TG(22:0/20:4(5Z,8Z,11Z,14Z)/20:2n6)
TG(20:4(8Z,11Z,14Z,17Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:0/18:4(6Z,9Z,12Z,15Z))
Bopindolol
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(18:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:3n6/20:3(5Z,8Z,11Z))
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:2(13Z,16Z))
TG(14:1(9Z)/20:0/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/22:2(13Z,16Z)/22:1(13Z))
PG(18:3(9Z,12Z,15Z)/16:0)
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/16:1(9Z))
TG(16:0/20:2n6/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/24:0/o-18:0)
Arachidonic acid A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14.
TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(14:1(9Z)/18:3(9Z,12Z,15Z))
DG(18:1n9/0:0/20:3n9)
PC(16:1(9Z)/P-18:1(11Z))
TG(20:2n6/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/18:0/20:1(11Z))[iso6]
TG(18:2(9Z,12Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(18:1n9/0:0/20:1n9)
TG(18:0/22:4(7Z,10Z,13Z,16Z)/18:0)
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
TG(18:2(9Z,12Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
3-Keto-b-D-galactose
TG(18:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)
Hypusine An L-lysine derivative that is L-lysine bearing A (2R)-4-amino-2-hydroxybutyl substituent at position N6.
TG(22:1(13Z)/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(22:0/22:0/22:0)
TG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
4-Hydroxynonenal
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(14:0/22:0/20:2n6)
PI(18:1(9Z)/16:1(9Z))
PG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))
PIP2(18:1(11Z)/18:2(9Z,12Z))
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
Prostaglandin F2a
TG(20:2n6/20:3(5Z,8Z,11Z)/20:2n6)
TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))
TG(16:0/22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
TG(18:0/20:1(11Z)/16:1(9Z))
TG(14:0/o-18:0/16:0)
Olopatadine
TG(14:1(9Z)/20:1(11Z)/20:2n6)
PIP2(16:0/22:2(13Z,16Z))
PI(22:3(10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
2'-Deoxyguanosine 5'-monophosphate
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/o-18:0/18:0)
TG(14:0/o-18:0/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
D-Xylitol
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
L-Proline Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles.
TG(20:3n6/22:0/18:4(6Z,9Z,12Z,15Z))
TG(18:0/20:2n6/18:2(9Z,12Z))
PIP(18:1(11Z)/18:2(9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
4-Glutathionyl cyclophosphamide A peptide that has formula C17H30Cl2N5O8PS.
PC(16:0/18:2(9Z,12Z))
TG(20:2n6/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/18:3(9Z,12Z,15Z)/o-18:0)
TG(16:0/20:0/20:0)[iso3]
Inositol-P-ceramide
TG(16:0/22:0/22:1(13Z))
TG(16:1(9Z)/18:1(9Z)/16:1(9Z))
TG(14:1(9Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:1(13Z)/18:2(9Z,12Z))
Lindane
DG(18:1n7/0:0/18:4n3)
TG(18:3(6Z,9Z,12Z)/18:0/20:2n6)
D-Fructose Fructose is a levorotatory monosaccharide and an isomer of glucose. Although fructose is a hexose (6 carbon sugar), it generally exists as a 5-member hemiketal ring (a furanose).
TG(20:3n6/15:0/20:3n6)
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/0:0)
N-Desmethyleletriptan
Ganglioside GT1b (d18:1/14:0)
3b,7a,12a-Trihydroxy-5b-cholanoic acid
TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Cimetidine A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.
TG(18:0/24:1(15Z)/18:1(11Z))
PC(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PE(P-18:0/18:3(6Z,9Z,12Z))
PE(20:1(11Z)/P-16:0)
4-Guanidinobutanoic acid The 4-guanidino derivative of butanoic acid.
DG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)
PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
(+)-Limonene
TG(20:3(5Z,8Z,11Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(P-18:1(9Z)/22:2(13Z,16Z))
TG(14:0/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)
PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Gallamine Triethiodide
TG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
TG(15:0/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
DG(16:1n7/0:0/16:1n7)
Ganglioside GM2 (d18:0/22:1(13Z))
1-Phosphatidyl-1D-myo-inositol 3-phosphate A phosphatidylinositol 3-phosphate in which the inositol moiety is the D-myo-isomer.
DG(22:1(13Z)/18:3(9Z,12Z,15Z)/0:0)
TG(18:1(11Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
Ganglioside GT1b (d18:0/26:0)
DG(14:0/24:1(15Z)/0:0)
Vitamin K1
Vitamin K2
TG(24:1(15Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
Pemirolast
TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(14:0/14:1(9Z)/18:1(11Z))
PS(16:0/18:3(9Z,12Z,15Z))
Flavin Mononucleotide
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
Topotecan A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.
TG(18:3(9Z,12Z,15Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GQ1c (d18:0/22:1(13Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))
7-Methylguanosine 5'-phosphate
TG(14:1(9Z)/14:1(9Z)/20:2n6)
TG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI(18:0/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/24:1(15Z))
PE(16:0/14:1(9Z))
TG(16:0/15:0/18:0)
SM(d18:1/24:0)
TG(15:0/14:0/18:0)
Dihydroceramide A ceramide consisting of sphinganine in which one of the amino hydrogens is substituted by a fatty acyl group.
TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
TG(22:1(13Z)/22:0/22:4(7Z,10Z,13Z,16Z))
PC(14:0/18:1(9Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
PI(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(24:0/22:0/22:4(7Z,10Z,13Z,16Z))
TG(22:0/22:0/20:3(5Z,8Z,11Z))
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:3n6)
TG(24:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GD2 (d18:0/23:0)
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(14:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)
Ganglioside GM1 (d18:0/14:0)
PE(20:0/22:2(13Z,16Z))
Methyprylon
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
Ibuprofen A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group.
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/22:1(13Z))
CE(19:0)
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)
Alpha-Linolenic acid A linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect.
TG(22:1(13Z)/22:1(13Z)/20:3n6)
Ganglioside GD1b (d18:1/16:0)
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
LysoPE(20:3(8Z,11Z,14Z)/0:0)
TG(16:0/18:3(6Z,9Z,12Z)/o-18:0)
TG(18:1(9Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Lanosterin
TG(20:2n6/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
PC(18:1(11Z)/P-16:0)
TG(24:1(15Z)/18:1(9Z)/24:1(15Z))
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/o-18:0)
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
DG(22:4n6/0:0/20:5n3)
TG(16:0/24:1(15Z)/22:2(13Z,16Z))
Tetrahexosylceramide (d18:1/24:1(15Z))
TG(22:0/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/o-18:0)
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
PE(20:3(8Z,11Z,14Z)/P-18:1(11Z))
TG(18:1(11Z)/16:0/18:1(11Z))[iso3]
Fluorometholone A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe.
3-Acetamidobutanal
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/20:3n6/20:3n6)
PE(18:4(6Z,9Z,12Z,15Z)/20:0)
TG(22:1(13Z)/o-18:0/24:1(15Z))
Trimethadione
DG(22:0/0:0/18:4n3)
TG(18:0/24:1(15Z)/24:1(15Z))
PC(16:1(9Z)/24:0)
TG(16:0/14:0/22:4(7Z,10Z,13Z,16Z))
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
DG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
D-Myo-inositol 3,4,5,6-tetrakisphosphate
TG(18:2(9Z,12Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(14:0/20:3(5Z,8Z,11Z)/15:0)
TG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Ganglioside GT1c (d18:1/22:1(13Z))
TG(18:1(11Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/16:0/18:2(9Z,12Z))
TG(24:0/16:1(9Z)/24:0)
TG(18:3(6Z,9Z,12Z)/24:0/18:4(6Z,9Z,12Z,15Z))
TG(16:0/14:1(9Z)/24:0)
TG(15:0/18:2(9Z,12Z)/20:0)
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:1(9Z))
PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
Paricalcitol
PC(P-18:0/20:3(8Z,11Z,14Z))
TG(16:0/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/18:2(9Z,12Z)/22:0)
1,2-Dihydroxy-3-keto-5-methylthiopentene
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(20:0/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/22:0/20:2n6)
TG(18:1(11Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:4(6Z,9Z,12Z,15Z))
TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(16:1(9Z)/20:3n6/o-18:0)
TG(22:0/18:1(11Z)/22:1(13Z))
DG(22:0/0:0/20:5n3)
TG(18:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
PE(22:0/24:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Reserpine An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.
TG(20:2n6/16:1(9Z)/18:3(9Z,12Z,15Z))
DG(18:0/0:0/22:5n3)
3-O-Sulfogalactosylceramide (d18:1/18:0)
PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))
TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:0)
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/15:0/18:3(9Z,12Z,15Z))
TG(16:1(9Z)/22:2(13Z,16Z)/20:2n6)
TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GD1a (d18:0/24:1(15Z))
DG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)
PC(16:1(9Z)/22:0)
MG(20:1(11Z)/0:0/0:0)
PC(P-18:0/14:0)
TG(14:1(9Z)/20:3n6/16:1(9Z))
7a,12a-Dihydroxy-5b-cholestan-3-one
TG(20:0/24:0/20:0)
PC(20:4(8Z,11Z,14Z,17Z)/16:0)
TG(20:2n6/18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
5-Hydroxylysine The lysine derivative that is 2,6-diamino-5-hydroxyhexanoic acid, a chiral alpha-amino acid.
DG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/0:0)
Secalciferol
PIP2(18:1(9Z)/18:1(9Z))
PE(14:1(9Z)/P-18:1(9Z))
TG(18:0/20:2n6/16:1(9Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(P-18:0/16:0)
4-Hydroxy-L-glutamic acid An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 4.
TG(22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
Donepezil Donepezil is a centrally acting reversible acetyl cholinesterase inhibitor. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.
TG(15:0/18:0/18:3(6Z,9Z,12Z))
PG(18:1(9Z)/18:0)
TG(15:0/20:2n6/20:2n6)
TG(24:0/22:2(13Z,16Z)/20:1(11Z))
PE(18:1(11Z)/P-18:1(9Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/15:0/22:5(4Z,7Z,10Z,13Z,16Z))
Ganglioside GM3 (d18:1/9Z-18:1)
TG(14:0/18:1(11Z)/16:1(9Z))
Montelukast An aliphatic sulfide that has formula C35H36ClNO3S.
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/o-18:0)
17a-Ethynylestradiol
TG(14:0/18:1(11Z)/16:0)
Uridine diphosphategalactose
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/24:1(15Z))
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
3-Methoxyanthranilate An aminobenzoate that results from the removal of a proton from the carboxylic acid group of 3-methoxyanthranilic acid.
TG(22:1(13Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Docetaxel
PE(14:0/20:3(8Z,11Z,14Z))
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(14:1(9Z)/22:1(13Z)/16:1(9Z))
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))
TG(18:0/22:1(13Z)/20:2n6)
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
TG(14:0/22:1(13Z)/o-18:0)
TG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/20:1(11Z)/20:2n6)
TG(14:0/18:0/18:3(9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
3-Carbamoyl-2-phenylpropionaldehyde A phenylacetaldehyde that has formula C10H11NO3.
TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
PC(o-20:0/22:0)
PG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(24:0/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
DG(20:2n6/0:0/22:5n6)
Phosphoroselenoic acid A phosphoric acid derivative in which one of the OH groups of phosphoric acid is replaced by SeH.
TG(20:3(5Z,8Z,11Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
3b,12a-Dihydroxy-5a-cholanoic acid
PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/o-18:0/18:2(9Z,12Z))
N(6)-(Octanoyl)lysine
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/o-18:0)
TG(15:0/22:2(13Z,16Z)/18:2(9Z,12Z))
MG(0:0/14:1(9Z)/0:0)
PC(22:4(7Z,10Z,13Z,16Z)/14:0)
TG(20:2n6/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(20:2n6/0:0/20:3n6)
TG(22:1(13Z)/18:1(11Z)/18:2(9Z,12Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:1(11Z))
TG(18:1(11Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(P-16:0/20:1(11Z))
TG(14:1(9Z)/22:0/18:2(9Z,12Z))
S-Adenosylmethionine
N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine
TG(14:0/18:3(9Z,12Z,15Z)/18:1(11Z))
DG(20:0/0:0/14:1n5)
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
PI(20:3(8Z,11Z,14Z)/18:1(9Z))
TG(20:1(11Z)/16:0/22:2(13Z,16Z))
TG(18:1(9Z)/22:2(13Z,16Z)/24:1(15Z))
Disulfiram An organic disulfide that is 1,1'-[disulfanediylbis(carbonothioylimino)]diethane substituted by ethyl groups at the N atom. An EC 1.2.1.3 [aldehyde dehydrogenase (NAD+)] inhibitor, it is used as an alcohol deterrent.
TG(16:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
DG(20:2n6/0:0/20:4n3)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:1(15Z)/20:3n6/18:3(6Z,9Z,12Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0)
TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
PC(20:0/20:3(8Z,11Z,14Z))
TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Clobetasol 16beta-Methylpregna-1,4-diene-3,20-dione bearing hydroxy groups at the 11beta and 17alpha positions, fluorine at position 9, and a chlorine substituent at position 21. It is used as its 17alpha-propionate ester to treat various skin disorders, including exzema and psoriasis.
PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))
TG(22:4(7Z,10Z,13Z,16Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PIP(22:4(10Z,13Z,16Z,19Z)/16:0)
PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/24:0/18:3(6Z,9Z,12Z))
TG(18:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6]
TG(22:0/24:1(15Z)/18:1(9Z))
TG(14:0/22:2(13Z,16Z)/15:0)
TG(20:0/18:3(9Z,12Z,15Z)/20:1(11Z))
Quinupristin
TG(24:1(15Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:1(11Z)/20:0)
TG(16:1(9Z)/14:1(9Z)/20:2n6)
12(R)-HPETE A HPETE that is (5Z,8Z,10E,12R,14Z)-icosa-5,8,10,14-tetraenoic acid with the hydroperoxy group located at position 12 (the R-enantiomer).
Sphingosine A sphing-4-enine in which the double bond is trans.
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/20:1(11Z)/18:1(9Z))
TG(20:3n6/20:2n6/20:4(8Z,11Z,14Z,17Z))
PA(20:4(5Z,8Z,11Z,14Z)e/2:0)
TG(16:0/20:1(11Z)/18:1(11Z))
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:1(9Z))
TG(18:2(9Z,12Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(20:1(11Z)/24:1(15Z))
4-Fumarylacetoacetic acid A beta-diketone that has formula C8H8O6.
TG(18:3(6Z,9Z,12Z)/o-18:0/20:3n6)
MG(P-18:0e/0:0/0:0)
TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)
TG(22:1(13Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
DG(15:0/0:0/15:0)
TG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))
TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PE(20:2(11Z,14Z)/16:1(9Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/18:0/22:2(13Z,16Z))
TG(24:1(15Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
PC(24:0/18:3(6Z,9Z,12Z))
3-Oxodecanoic acid An oxo fatty acid that is the 3-oxo derivative of decanoic acid.
7a,12a-Dihydroxy-3-oxo-4-cholenoic acid
PC(18:0/22:1(13Z))
4-Hydroxyestrone-2-S-glutathione
Mephentermine
PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
4a-Hydroxytetrahydrobiopterin A tetrahydropterin that is 5,6,7,8-tetrahydrobiopterin carrying an additional hydroxy substituent at the 4a-position.
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
TG(18:1(11Z)/20:1(11Z)/20:3n6)
SAICAR A 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid.
TG(18:1(9Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:0/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))
TG(18:3(9Z,12Z,15Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:0/16:0/22:1(13Z))
TG(14:1(9Z)/14:0/18:3(6Z,9Z,12Z))
Spirapril
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))
PS(14:0/20:4(5Z,8Z,11Z,14Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
Posaconazole
TG(20:3(5Z,8Z,11Z)/24:1(15Z)/o-18:0)
TG(20:3n6/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/20:4(8Z,11Z,14Z,17Z))
TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3n6/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/22:0/18:1(11Z))
Mepivacaine A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic.
TG(14:0/20:3n6/20:3n6)
TG(14:0/18:2(9Z,12Z)/20:3n6)
TG(22:0/22:1(13Z)/16:1(9Z))
TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(N-Acetylglucosaminyl)2-diphosphodolichol
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(9Z))
TG(14:1(9Z)/18:0/20:3(5Z,8Z,11Z))
CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z))
TG(15:0/18:1(11Z)/22:1(13Z))
Heme A
TG(18:1(9Z)/24:1(15Z)/18:2(9Z,12Z))
Heme O A heme that has formula C49H58FeN4O5.
PC(18:3(9Z,12Z,15Z)/14:1(9Z))
TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
PE(22:0/18:2(9Z,12Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
PC(18:0/22:4(7Z,10Z,13Z,16Z))
3a,7a-Dihydroxy-5b-cholestane
TG(16:1(9Z)/24:1(15Z)/18:4(6Z,9Z,12Z,15Z))
Thiomorpholine 3-carboxylate The conjugate base of thiomorpholine-3-carboxylic acid.
TG(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/24:1(15Z)/15:0)
TG(18:1(9Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
TG(15:0/22:0/22:0)
TG(24:1(15Z)/18:0/20:4(8Z,11Z,14Z,17Z))
Lactosyceramide (d18:1/18:1(9Z))
TG(14:1(9Z)/24:0/18:3(6Z,9Z,12Z))
TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/22:0/22:2(13Z,16Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(16:1(9Z)/22:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
24-Methylenecholesterol A 3beta-sterol having the structure of cholesterol with a methylene group at C-24.
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
PI(18:1(11Z)/20:3(5Z,8Z,11Z))
DG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:0/24:1(15Z)/20:2n6)
TG(18:3(6Z,9Z,12Z)/22:0/20:4(8Z,11Z,14Z,17Z))
Iminoerythrose 4-phosphate An alditol 4-phosphate that has formula C4H10NO6P.
TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PI(18:0/16:0)
TG(20:0/14:0/20:4(8Z,11Z,14Z,17Z))
PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(15:0/24:1(15Z)/24:1(15Z))
TG(14:0/18:1(9Z)/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/24:0/20:4(8Z,11Z,14Z,17Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
Linoleoyl-CoA The S-linoleoyl derivative of coenzyme A.
TG(24:0/20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
TG(15:0/20:2n6/24:0)
PE(16:1(9Z)/18:1(9Z))
TG(20:2n6/16:0/20:4(8Z,11Z,14Z,17Z))
PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Dimethylaniline-N-oxide
PI(18:1(9Z)/16:0)
TG(24:0/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
TG(18:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
Ureidoisobutyric acid
TG(22:4(7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Sterol A 3-hydroxy steroid closely related to cholestan-3-ol.
TG(16:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Ascorbic acid
DG(20:0/22:1(13Z)/0:0)
3-Methoxy-4-hydroxyphenylglycolaldehyde A glycolaldehyde that has formula C9H10O4.
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(15:0/22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/20:1(11Z)/24:0)
cis-3-Chloroallyl aldehyde An organochlorine compound that has formula C3H3ClO.
PC(14:1(9Z)/20:3(8Z,11Z,14Z))
TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/o-18:0)
TG(22:1(13Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(12:0/12:0/12:0)
TG(20:1(11Z)/20:2n6/24:1(15Z))
Hypothiocyanite
PIP2(16:0/22:5(7Z,10Z,13Z,16Z,19Z))
Ximelagatran A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted to the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.
PE(15:0/14:1(9Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(20:0/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:0/22:0/24:1(15Z))
Levamisole
TG(20:2n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z))
PIP(20:4(8Z,11Z,14Z,17Z)/18:0)
DG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/o-18:0)
TG(16:1(9Z)/20:0/20:3n6)
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(15:0/18:0/18:3(9Z,12Z,15Z))[iso6]
TG(24:0/20:3(5Z,8Z,11Z)/18:1(11Z))
TG(24:0/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
TG(18:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(16:1(9Z)/20:2(11Z,14Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
DG(14:1(9Z)/20:0/0:0)
TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z))
Nitroxoline
TG(20:4(8Z,11Z,14Z,17Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/14:1(9Z)/22:2(13Z,16Z))
TG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
TG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
PE(24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/18:1(9Z)/18:1(9Z))
TG(20:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:0/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3n6/18:1(9Z)/22:2(13Z,16Z))
TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3]
TG(18:1(9Z)/14:0/o-18:0)
TG(20:3n6/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/16:1(9Z)/22:2(13Z,16Z))
TG(22:1(13Z)/20:1(11Z)/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/o-18:0/18:4(6Z,9Z,12Z,15Z))
20-Hydroxy-leukotriene B4 The 20-hydroxy derivative of leukotriene B4.
TG(20:3n6/16:0/22:4(7Z,10Z,13Z,16Z))
TG(20:4(5Z,8Z,11Z,14Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/15:0/18:2(9Z,12Z))
SM(d18:1/16:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/o-18:0/20:2n6)
TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]
TG(20:1(11Z)/20:2n6/18:4(6Z,9Z,12Z,15Z))
TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/20:0/18:1(11Z))
TG(16:0/15:0/24:1(15Z))
TG(20:2n6/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
TG(14:0/18:0/18:0)
TG(20:3n6/20:2n6/18:3(9Z,12Z,15Z))
TG(22:0/20:2n6/14:1(9Z))
TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
N-palmitoyl-phosphoethanolamine
TG(15:0/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
Ganglioside GT1c (d18:0/22:0)
TG(14:0/20:4(8Z,11Z,14Z,17Z)/o-18:0)
PI(22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
Ganglioside GM2 (d18:0/20:0)
TG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:0/18:1(11Z))[iso3]
TG(24:0/22:4(7Z,10Z,13Z,16Z)/o-18:0)
TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:1(11Z)/20:0/20:1(11Z))
PC(dm18:0/dm18:1(9Z))
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))
Ganglioside GT1c (d18:0/20:0)
TG(18:3(6Z,9Z,12Z)/24:0/20:4(8Z,11Z,14Z,17Z))
PE(20:4(8Z,11Z,14Z,17Z)/24:1(15Z))
Ganglioside GT2 (d18:1/14:0)
TG(16:0/14:0/18:2(9Z,12Z))[iso6]
TG(24:0/20:3(5Z,8Z,11Z)/18:1(9Z))
TG(18:0/18:0/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/24:0/20:2n6)
TG(14:0/24:1(15Z)/20:1(11Z))
Carteolol A quinolone that has formula C16H24N2O3.
TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:1(9Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
3-Fumarylpyruvate
Chlorotrianisene
Uridine diphosphate glucuronic acid
N-Formyl-L-glutamic acid A N-formyl amino acid that has formula C6H9NO5.
DG(20:3n6/0:0/18:3n3)
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/16:0/18:2(9Z,12Z))
TG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
DG(14:1(9Z)/18:1(11Z)/0:0)
PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:0/18:1(9Z)/18:3(6Z,9Z,12Z))
LysoPC(16:1(9Z))
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))
TG(14:0/20:1(11Z)/18:3(9Z,12Z,15Z))
TG(15:0/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:1(15Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/22:1(13Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
Sumatriptan A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family).
TG(16:0/18:1(9Z)/20:0)[iso6]
Doxepin A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.
PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
Oxytocin A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.
TG(18:1(9Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))
PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:3n6/20:1(11Z))
TG(20:0/18:1(11Z)/20:3(5Z,8Z,11Z))
TG(14:0/o-18:0/20:0)
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
TG(22:0/22:0/22:4(7Z,10Z,13Z,16Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine
DG(16:0/0:0/24:1n9)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(24:0/22:1(13Z)/o-18:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(20:1(11Z)/18:3(9Z,12Z,15Z))
TG(15:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/20:0/18:1(11Z))
TG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
Aliskiren
(2R)-Ethylmalonyl-CoA
TG(14:1(9Z)/16:1(9Z)/18:2(9Z,12Z))
PC(14:0/20:3(5Z,8Z,11Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
Ganglioside GD1a (d18:0/20:0)
PC(22:1(13Z)/18:2(9Z,12Z))
PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z))
TG(22:0/14:1(9Z)/14:1(9Z))
TG(16:0/24:0/22:5(7Z,10Z,13Z,16Z,19Z))
DG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/o-18:0)
TG(20:0/14:0/22:2(13Z,16Z))
TG(22:1(13Z)/20:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(18:1(11Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:2n6/18:3(6Z,9Z,12Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(20:2n6/15:0/o-18:0)
TG(22:1(13Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Cytidine monophosphate
PC(18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/24:1(15Z)/20:2n6)
TG(14:0/20:0/22:4(7Z,10Z,13Z,16Z))
PC(18:1(9Z)/18:2(9Z,12Z))
TG(20:1(11Z)/18:1(9Z)/18:3(6Z,9Z,12Z))
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
8-Hydroxycarvedilol
TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GD1a (d18:0/22:0)
TG(24:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/22:0/20:2n6)
Adenosine 5'-pentaphosphate An organophosphate oxoanion resulting from the removal of all six protons from the phosphate groups of adenosine 5'-pentaphosphate; the major species at pH 7.3.
PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(16:1(9Z)/P-18:1(9Z))
TG(14:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))
Ethchlorvynol
TG(18:3(6Z,9Z,12Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(15:0/18:0/20:3(5Z,8Z,11Z))
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(24:1(15Z)/20:3n6/20:4(5Z,8Z,11Z,14Z))
TG(22:0/18:1(9Z)/20:1(11Z))
Thromboxane B2 A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.
L-Glutamic gamma-semialdehyde
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/20:2n6/22:5(7Z,10Z,13Z,16Z,19Z))
Iodotyrosine A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety.
TG(14:0/15:0/22:0)
Pyridoxamine 5'-phosphate A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.
TG(14:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/20:1(11Z)/14:1(9Z))
TG(24:1(15Z)/20:0/o-18:0)
TG(16:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
DG(22:0/14:0/0:0)
TG(18:4(6Z,9Z,12Z,15Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:2(9Z,12Z)/o-18:0)
TG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Bortezomib
TG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:2(9Z,12Z)/16:0/20:4(5Z,8Z,11Z,14Z))
TG(14:1(9Z)/14:0/14:1(9Z))
PIP2(18:1(11Z)/20:1(11Z))
TG(22:1(13Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
Deoxyadenosine triphosphate
TG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(20:2n6/18:0/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/18:2(9Z,12Z)/24:1(15Z))
Acetaminophen glucuronide
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
PC(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(18:2(9Z,12Z)/16:1(9Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/24:0)
Hydroxypyruvic acid
TG(18:0/18:3(9Z,12Z,15Z)/22:0)
PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))
PG(16:1(9Z)/20:3(8Z,11Z,14Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Beta-Sitosterol
TG(18:0/14:0/20:0)
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))
TG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
PC(20:2(11Z,14Z)/14:0)
3-Hydroxy-L-proline The L-stereoisomer of 3-hydroxyproline.
DG(16:0/24:1(15Z)/0:0)
Bromobenzene-2,3-dihydrodiol An organic hydroxy compound that has formula C6H7BrO2.
TG(20:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/14:0/18:3(6Z,9Z,12Z))
TG(14:0/24:0/20:4(8Z,11Z,14Z,17Z))
Iloprost
TG(16:1(9Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(24:0/P-18:1(11Z))
TG(20:2n6/24:0/22:4(7Z,10Z,13Z,16Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
Camelliasaponin A2
Camelliasaponin A1
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
Cromoglicic acid
TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:1(13Z))
PE(22:0/14:1(9Z))
Sitaxentan
TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Lactosylceramide (d18:1/24:1(15Z))
TG(20:2n6/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/22:0/20:4(8Z,11Z,14Z,17Z))
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/24:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
TG(14:1(9Z)/20:1(11Z)/22:2(13Z,16Z))
D-Lactaldehyde
TG(20:1(11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/20:3n6/18:3(9Z,12Z,15Z))
(R)-Mevalonic acid-5-pyrophosphate
TG(20:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:3(9Z,12Z,15Z)/20:0)
TG(18:0/14:0/22:0)
TG(22:1(13Z)/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(18:2(9Z,12Z)/20:2(11Z,14Z)/0:0)
TG(18:1(9Z)/24:0/18:2(9Z,12Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Cer(d18:0/18:1(9Z))
TG(20:4(5Z,8Z,11Z,14Z)/o-18:0/20:4(8Z,11Z,14Z,17Z))
Ganglioside GM2 (d18:0/26:1(17Z))
Leukotriene C4 A leukotriene that contains cysteine in their structure.
PIP(20:3(5Z,8Z,11Z)/18:1(9Z))
TG(20:0/14:0/18:4(6Z,9Z,12Z,15Z))
TG(16:0/18:2(9Z,12Z)/18:1(9Z))
Chondroitin 4-sulfate A chondroitin sulfate in which the site of sulfation is carbon 4 of the N-acetylgalactosamine (GalNAc) sugar.
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
PE(22:0/14:0)
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(24:0/20:4(8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
LysoPC(18:3(9Z,12Z,15Z))
Hydralazine The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent.
DG(18:1n7/0:0/20:1n9)
TG(16:0/18:1(11Z)/20:3n6)
TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:3n6)
TG(14:0/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)
TG(14:1(9Z)/20:2n6/20:2n6)
Lidocaine The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.
Ursodeoxycholic acid A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))
TG(18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:0)
TG(18:1(9Z)/14:1(9Z)/24:1(15Z))
Moexipril
TG(15:0/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)
PE(22:0/16:0)
TG(14:0/15:0/22:4(7Z,10Z,13Z,16Z))
TG(15:0/18:3(9Z,12Z,15Z)/18:0)
4-Hydroxybenzoic acid A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.
TG(18:0/14:1(9Z)/22:0)
TG(20:1(11Z)/o-18:0/18:3(9Z,12Z,15Z))
TG(18:0/18:3(6Z,9Z,12Z)/o-18:0)
TG(15:0/16:1(9Z)/18:3(9Z,12Z,15Z))
TG(24:1(15Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(14:1(9Z)/18:1(9Z)/18:1(9Z))
TG(15:0/14:1(9Z)/14:1(9Z))
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/22:1(13Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
PC(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/22:0/22:4(7Z,10Z,13Z,16Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
DG(16:0/0:0/18:3n6)
Methdilazine
TG(18:1(11Z)/20:1(11Z)/18:1(9Z))
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine An ammonium ion that is a derivative of L-histidine having a 3-carboxy-3-(methylammonio)propyl group at the 2-position on the imidazole ring.
PC(20:3(8Z,11Z,14Z)/P-18:1(9Z))
TG(18:1(9Z)/20:2n6/20:3(5Z,8Z,11Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/0:0)
Diadenosine triphosphate
TG(20:0/20:0/14:1(9Z))
TG(24:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:2(13Z,16Z))
TG(22:1(13Z)/20:0/18:4(6Z,9Z,12Z,15Z))
Ganglioside GT2 (d18:0/26:1(17Z))
Chenodeoxyglycocholoyl-CoA
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3n6)
DG(24:1n9/0:0/20:2n6)
Sedoheptulose A ketoheptose that has formula C7H14O7.
Diphthamide A quaternary ammonium ion that is the derivative of L-histidine having a 4-amino-4-oxo-3-(trimethylammonio)butyl group at the 2-position of the imidazole ring.
TG(22:0/18:3(6Z,9Z,12Z)/18:1(11Z))
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))
Reduced Vitamin K (phylloquinone)
TG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(15:0/15:0/16:0)
TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(20:3n6/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Dyclonine N-Ethylpiperidine in which one of the hydrogens attached to the methyl group is substituted by a 4-butoxybenzoyl group.
TG(18:3(9Z,12Z,15Z)/20:0/20:4(8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:0/22:4(7Z,10Z,13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/o-18:0)
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:1(15Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))
Buclizine
TG(18:3(9Z,12Z,15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Glucosamine 6-phosphate
TG(18:0/22:2(13Z,16Z)/18:3(9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(22:0/18:4(6Z,9Z,12Z,15Z))
TG(16:1(9Z)/18:0/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
TG(15:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(16:0/18:3(6Z,9Z,12Z))
TG(20:1(11Z)/16:1(9Z)/24:1(15Z))
TG(14:0/20:0/20:4(8Z,11Z,14Z,17Z))
TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/24:0)
Clodronate
TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)
3a,21-Dihydroxy-5b-pregnane-11,20-dione
TG(14:0/15:0/15:0)
TG(22:1(13Z)/18:1(9Z)/20:2n6)
PIP(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
7a,12a-Dihydroxy-cholestene-3-one
TG(15:0/15:0/24:0)
Loxapine A dibenzoxazepine that has formula C18H18ClN3O.
TG(20:2n6/o-18:0/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:3n6/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/20:2n6/15:0)
TG(18:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(16:0/22:4(7Z,10Z,13Z,16Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))
TG(14:1(9Z)/18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
N-Acetylleucine
TG(18:3(6Z,9Z,12Z)/20:0/20:3n6)
TG(20:4(5Z,8Z,11Z,14Z)/15:0/18:3(9Z,12Z,15Z))
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
DG(18:3n3/0:0/18:3n3)
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6)
TG(16:0/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
DG(22:0/16:1(9Z)/0:0)
TG(24:0/20:1(11Z)/18:1(9Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/o-18:0)
Carbidopa The hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.
TG(18:3(6Z,9Z,12Z)/18:0/20:3n6)
TG(24:0/22:1(13Z)/20:2n6)
PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/24:1(15Z)/16:0)
TG(18:0/22:0/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/16:0/18:3(6Z,9Z,12Z))
Phensuximide
TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
DG(20:0/0:0/20:5n3)
1-Pentanol
PE(18:1(9Z)/22:0)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:0/18:1(11Z)/20:1(11Z))
LysoPE(0:0/16:1(9Z))
Flutamide A (trifluoromethyl)benzene that has formula C11H11F3N2O3.
Isopropyl alcohol
5'-Methylthioadenosine
TG(16:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:2(9Z,12Z)/16:0/20:4(8Z,11Z,14Z,17Z))
Tetrahexosylceramide (d18:1/20:0)
TG(24:1(15Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
DG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
Ganglioside GT3 (d18:1/16:0)
DG(15:0/0:0/22:6n3)
TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:2n6/22:2(13Z,16Z)/20:3n6)
TG(14:1(9Z)/o-18:0/18:1(11Z))
TG(20:3(5Z,8Z,11Z)/14:1(9Z)/20:3(5Z,8Z,11Z))
PI(20:0/20:3(8Z,11Z,14Z))
TG(18:1(9Z)/24:1(15Z)/18:3(6Z,9Z,12Z))
TG(15:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/22:1(13Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0)
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)
Ganglioside GT3 (d18:1/18:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))
S-(2-Methylbutanoyl)-dihydrolipoamide
TG(14:1(9Z)/22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/22:0/18:2(9Z,12Z))
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:0/15:0/20:1(11Z))
PC(14:0/18:3(9Z,12Z,15Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:2n6)
Cevimeline
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6)
Pirbuterol
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Tranylcypromine An alkylamine that has formula C9H11N.
PG(18:3(9Z,12Z,15Z)/18:0)
TG(24:1(15Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/18:0/20:4(5Z,8Z,11Z,14Z))
DG(20:4n3/0:0/20:5n3)
TG(22:0/20:3(5Z,8Z,11Z)/22:0)
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/o-18:0/16:1(9Z))
DG(15:0/20:1(11Z)/0:0)
PC(15:0/P-18:0)
TG(15:0/18:2(9Z,12Z)/14:1(9Z))
Chlordiazepoxide A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.
TG(20:2n6/20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PIP2(18:2(9Z,12Z)/18:1(9Z))
TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Agmatine A primary amino compound that has formula C5H14N4.
Gentian Violet
Temozolomide
TG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(14:1(9Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
D-4'-Phosphopantothenate
TG(20:0/18:1(11Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/o-18:0)
DG(18:2(9Z,12Z)/24:0/0:0)
TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
TG(24:0/15:0/18:4(6Z,9Z,12Z,15Z))
TG(24:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
MG(0:0/20:3(5Z,8Z,11Z)/0:0)
Ganglioside GT2 (d18:0/23:0)
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
Halofantrine
TG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:2n6/18:3(9Z,12Z,15Z))
PC(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
PC(24:0/18:3(9Z,12Z,15Z))
PC(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:2(9Z,12Z)/18:0/0:0)
TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:0/22:2(13Z,16Z)/20:0)
TG(14:0/20:1(11Z)/20:3n6)
TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(22:0/22:4(7Z,10Z,13Z,16Z))
Ubiquinone-1 A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit.
Ubiquinone-2 A compound composed of the 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of two isoprenoid units.
TG(22:0/24:1(15Z)/16:1(9Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Octanoylglucuronide
TG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
Trimethylselenonium An organic cation consisting of three methyl groups covalently bound to a central selenium atom.
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
DG(20:3(5Z,8Z,11Z)/24:1(15Z)/0:0)
TG(24:0/20:3n6/18:4(6Z,9Z,12Z,15Z))
TG(24:0/14:1(9Z)/22:2(13Z,16Z))
21-Hydroxy-5b-pregnane-3,11,20-trione
TG(20:0/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
Haloperidol A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.
CL(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
Sulfite Sulfite is an inorganic anion, which is the conjugate base of hydrogen sulfite.
TG(15:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:4(6Z,9Z,12Z,15Z)/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(dm18:0/18:1(11Z))
PE(18:1(11Z)/18:1(11Z))
2-Phosphoglyceric acid A monophosphoglyceric acid having the phospho group at the 2-position.
PS(18:2(9Z,12Z)/18:0)
TG(18:0/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
Cer(d18:1/24:1(15Z))
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z))
PG(18:3(9Z,12Z,15Z)/18:1(11Z))
PE(18:1(11Z)/18:3(9Z,12Z,15Z))
PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
TG(14:0/20:1(11Z)/18:2(9Z,12Z))
Gluconic acid
PC(18:1(9Z)/P-18:1(11Z))
TG(20:3n6/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/24:0/o-18:0)
TG(22:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/18:3(6Z,9Z,12Z)/22:1(13Z))
Obtusifoliol A 3beta-sterol that has formula C30H50O.
TG(22:0/24:1(15Z)/24:0)
6-Phosphogluconic acid
TG(24:1(15Z)/24:1(15Z)/20:3n6)
Quazepam
PC(18:0/20:3(5Z,8Z,11Z))
Inosine 2',3'-cyclic phosphate
Alpha-L-fucose A L-fucopyranose having alpha-configuration at the anomeric centre.
PS(14:0/16:0)
DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
TG(20:2n6/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(18:2(9Z,12Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/18:3(6Z,9Z,12Z)/18:0)
Fesoterodine
TG(18:0/24:0/16:1(9Z))
DG(20:2n6/0:0/20:2n6)
4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol
TG(16:0/15:0/20:0)
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0)
TG(18:0/20:1(11Z)/20:3n6)
TG(14:1(9Z)/16:0/22:2(13Z,16Z))
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:2n6)
DG(22:0/0:0/18:2n6)
DG(24:0/18:3(6Z,9Z,12Z)/0:0)
PE(20:0/22:4(7Z,10Z,13Z,16Z))
Novobiocin
PC(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))
Mecamylamine
TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
DG(22:0/0:0/22:2n6)
TG(14:1(9Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
trans-2-Hexenoyl-CoA
TG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC(18:1(9Z)/18:3(9Z,12Z,15Z))
TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/20:0/20:3n6)
PC(18:0/P-18:1(11Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:1(15Z)/18:1(9Z)/20:2n6)
CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(9Z))
Clopidogrel A thienopyridine that has formula C16H16ClNO2S.
DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0)
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(22:1(13Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE(20:3(5Z,8Z,11Z)/16:1(9Z))
Coenzyme Q9
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3n6)
Ganglioside GD3 (d18:0/20:0)
Eicosanoyl-CoA
TG(20:0/18:1(11Z)/20:3n6)
11H-14,15-EETA A hydroxy fatty acid that has formula C20H32O4.
PC(15:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:1(13Z)/20:1(11Z))
Famciclovir 2-Amino-9H-purine in which the hydrogen at position 9 is substituted by a 4-acetoxy-3-(acetoxymethyl)but-1-yl group. A prodrug of the antiviral penciclovir, it is used for the treatment of acute herpes zoster (shingles), for the treatment or suppression of recurrent genital herpes in immunocompetent patients and for the treatment of recurrent mucocutaneous herpes simplex infections in HIV infected patients.
TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6)
TG(14:1(9Z)/22:0/14:1(9Z))
PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
5alpha-Pregnan-20alpha-ol-3-one A corticosteroid hormone that has formula C21H34O2.
TG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
TG(16:1(9Z)/o-18:0/20:3n6)
TG(14:0/o-18:0/22:1(13Z))
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
14,15-DiHETrE
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/o-18:0)
TG(16:0/22:1(13Z)/18:0)
TG(20:3(5Z,8Z,11Z)/20:2n6/20:3(5Z,8Z,11Z))
TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
PC(22:1(13Z)/18:3(9Z,12Z,15Z))
TG(14:0/24:0/18:0)
TG(14:0/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PS(14:1(9Z)/18:0)
TG(22:2(13Z,16Z)/20:0/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/16:1(9Z)/24:1(15Z))
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:0/20:2n6/22:2(13Z,16Z))
TG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2n6)
TG(18:2(9Z,12Z)/14:0/20:4(8Z,11Z,14Z,17Z))
Ganglioside GD1b (d18:0/26:0)
TG(16:0/24:1(15Z)/14:1(9Z))
Ketoprofen An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.
TG(18:1(11Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))
TG(22:1(13Z)/14:0/22:1(13Z))
TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
PC(14:0/22:1(13Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
PIP2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
PI(20:3(8Z,11Z,14Z)/18:1(11Z))
TG(20:3n6/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Adenosine 2'-phosphate A purine ribonucleoside 2'-monophosphate that has formula C10H14N5O7P.
TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
PE(22:2(13Z,16Z)/15:0)
TG(18:1(11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:2n6/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/o-18:0)
TG(22:0/18:3(6Z,9Z,12Z)/24:1(15Z))
TG(22:2(13Z,16Z)/18:0/22:2(13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(20:2n6/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
PC(18:1(9Z)/20:3(5Z,8Z,11Z))
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(20:0/22:0/20:4(8Z,11Z,14Z,17Z))
TG(24:1(15Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(15:0/20:4(8Z,11Z,14Z,17Z)/18:1(11Z))
3-Hydroxykynurenamine A hydroxykynurenamine that has formula C9H12N2O2.
TG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))
DG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)
TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
PIP2(18:1(11Z)/20:3(8Z,11Z,14Z))
trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene A phenanthrene that has formula C20H18O2.
TG(18:1(11Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
TG(22:0/18:1(9Z)/16:1(9Z))
PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
TG(20:3n6/20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG(18:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
TG(20:3n6/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
Disialosyl galactosyl globoside
TG(20:1(11Z)/18:3(9Z,12Z,15Z)/20:2n6)
TG(20:2n6/24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:1(13Z)/14:0/22:2(13Z,16Z))
PC(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
TG(20:1(11Z)/24:0/20:2n6)
TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/16:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
Dihydrotachysterol
TG(16:1(9Z)/15:0/24:1(15Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]
TG(24:1(15Z)/22:0/18:4(6Z,9Z,12Z,15Z))
Trihexosylceramide (d18:1/16:0)
Ethanol A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group.
PC(16:0/18:3(6Z,9Z,12Z))
Butabarbital A barbiturate that has formula C10H16N2O3.
TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
PIP2(18:0/20:3(8Z,11Z,14Z))
Suprofen
TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(15:0/20:2n6/22:2(13Z,16Z))
TG(20:1(11Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/18:1(11Z)/18:2(9Z,12Z))
TG(16:0/24:1(15Z)/18:1(11Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:2n6)
Benzoic acid A compound comprising a benzene ring core carrying a carboxylic acid substituent.
TG(18:1(11Z)/20:0/22:1(13Z))
DG(20:3n9/0:0/20:3n6)
PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/o-18:0/18:2(9Z,12Z))
TG(24:1(15Z)/18:0/22:2(13Z,16Z))
TG(16:0/20:3n6/20:3(5Z,8Z,11Z))
TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:1(15Z)/16:0/18:4(6Z,9Z,12Z,15Z))
Cyproterone
TG(18:0/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Naphthalene-1,2-diol A naphthalenediol that has formula C10H8O2.
TG(20:0/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/15:0/20:1(11Z))
TG(18:1(9Z)/18:0/o-18:0)
TG(14:0/16:1(9Z)/20:3n6)
TG(18:1(11Z)/20:2n6/20:3(5Z,8Z,11Z))
TG(22:1(13Z)/20:0/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(14:1n5/0:0/14:1n5)
TG(22:0/20:2n6/18:2(9Z,12Z))
PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(11Z)/24:0/20:2n6)
TG(15:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
beta-nicotinamide D-ribonucleotide
TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/o-18:0/18:1(9Z))
TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(15:0/16:0/20:0)
TG(22:0/15:0/18:1(11Z))
TG(24:0/14:1(9Z)/18:1(9Z))
TG(14:0/16:0/18:1(11Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/o-18:0)
TG(20:3n6/22:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3n6)
TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/18:3(9Z,12Z,15Z))
TG(18:3(6Z,9Z,12Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(24:0/18:1(9Z)/16:1(9Z))
Aldosterone A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney.
PI(18:3(6Z,9Z,12Z)/18:1(11Z))
TG(18:1(9Z)/18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))
Cortisol A C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or glucocorticoid produced by zona fasciculata of the adrenal cortex, which is a part of the adrenal gland. It is usually referred to as the stress hormone as it is involved in response to stress and anxiety, controlled by corticotropin-releasing hormone (CRH). It increases blood pressure and blood sugar, and reduces immune responses
TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))
N2-Galacturonyl-L-lysine
Mifepristone
TG(22:1(13Z)/20:1(11Z)/o-18:0)
TG(22:1(13Z)/20:1(11Z)/24:1(15Z))
TG(18:0/18:1(9Z)/20:0)[iso6]
TG(22:1(13Z)/16:1(9Z)/24:1(15Z))
TG(22:0/18:0/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/o-18:0/20:4(5Z,8Z,11Z,14Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(18:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/20:1(11Z)/24:0)
TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]
TG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
PC(o-16:0/20:4(8Z,11Z,14Z,17Z))
TG(24:0/20:3n6/14:1(9Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
Lacto-N-triaose
TG(22:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z))
TG(20:4(8Z,11Z,14Z,17Z)/22:0/o-18:0)
TG(18:1(9Z)/24:1(15Z)/o-18:0)
TG(16:1(9Z)/18:0/18:1(9Z))[iso6]
TG(14:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z))
Lactaldehyde A propanal that has formula C3H6O2.
PIP(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))
TG(18:2(9Z,12Z)/20:3n6/22:2(13Z,16Z))
PI(16:0/20:0)
Ridogrel
TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:0)
PIP2(20:1(11Z)/18:2(9Z,12Z))
TG(20:2n6/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/24:1(15Z)/18:2(9Z,12Z))
TG(18:1(11Z)/24:1(15Z)/20:1(11Z))
PC(15:0/20:3(5Z,8Z,11Z))
TG(14:0/16:1(9Z)/18:3(9Z,12Z,15Z))
TG(15:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/18:4(6Z,9Z,12Z,15Z)/24:1(15Z))
2,3-Epoxymenaquinone
Nitroprusside An iron coordination entity that has formula C5FeN6O.
TG(14:0/o-18:0/18:4(6Z,9Z,12Z,15Z))
DG(22:0/0:0/20:4n6)
TG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(16:1(9Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:2n6/16:1(9Z)/20:2n6)
PC(18:3(6Z,9Z,12Z)/20:1(11Z))
LPA(18:0e/0:0)
Phentermine A primary amine that has formula C10H15N.
TG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
11-cis-Retinol A retinol that has formula C20H30O.
TG(18:3(9Z,12Z,15Z)/15:0/18:4(6Z,9Z,12Z,15Z))
TG(20:0/20:0/18:4(6Z,9Z,12Z,15Z))
TG(22:0/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
TG(20:0/18:1(11Z)/18:1(11Z))
TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)
TG(14:1(9Z)/o-18:0/22:4(7Z,10Z,13Z,16Z))
Beclometasone dipropionate
TG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Ganglioside GM3 (d18:1/18:0)
NPC A pyranoindolizinoquinoline that has formula C28H30N4O6.
5,6-Dihydroxyindole A dihydroxyindole that has formula C8H7NO2.
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
TG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(6Z,9Z,12Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
Acoric acid
TG(24:1(15Z)/14:1(9Z)/24:1(15Z))
TG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(24:0/16:1(9Z)/20:3n6)
TG(20:3(5Z,8Z,11Z)/14:0/o-18:0)
TG(24:0/20:2n6/22:4(7Z,10Z,13Z,16Z))
TG(18:1(11Z)/18:1(11Z)/22:2(13Z,16Z))
CDP A pyrimidine ribonucleoside 5'-diphosphate having cytosine as the nucleobase.
PC(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(24:0/20:4(8Z,11Z,14Z,17Z)/20:2n6)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:3n6/22:0/20:4(8Z,11Z,14Z,17Z))
TG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
DG(20:1(11Z)/18:3(9Z,12Z,15Z)/0:0)
DG(24:0/22:1(13Z)/0:0)
PE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
PC(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
3-Oxohexadecanoic acid An oxo-fatty acid comprising palmitic acid having an oxo group at the 3-position; an intermediate in fatty acid biosynthesis.
TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:1(11Z)/20:3(5Z,8Z,11Z)/22:1(13Z))
TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))
TG(22:0/16:0/20:3(5Z,8Z,11Z))
PC(20:4(5Z,8Z,11Z,14Z)/14:0)
TG(24:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:0/18:1(11Z)/16:1(9Z))
TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
TG(18:2(9Z,12Z)/16:0/18:4(6Z,9Z,12Z,15Z))
TG(15:0/16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Ganglioside GM2 (d18:1/16:0)
Inositol cyclic phosphate
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:0/18:1(9Z)/18:3(9Z,12Z,15Z))
TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))
TG(22:1(13Z)/16:0/18:3(9Z,12Z,15Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Ganglioside GM3 (d18:1/12:0)
TG(22:1(13Z)/16:0/24:1(15Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/o-18:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/18:4(6Z,9Z,12Z,15Z))
TG(24:1(15Z)/18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:1(9Z)/15:0/18:1(9Z))
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
PI(20:0/20:4(5Z,8Z,11Z,14Z))
TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/20:4(8Z,11Z,14Z,17Z))
Labetalol A secondary amino compound formally derived from ammonia by replacing two of the hydrogens by 2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl and 4-phenylbutan-2-yl groups. It is an adrenergic antagonist used to treat high blood pressure.
TG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
PE(18:4(6Z,9Z,12Z,15Z)/16:0)
TG(18:1(11Z)/22:2(13Z,16Z)/24:1(15Z))
PE(18:0/20:3(8Z,11Z,14Z))
Aldosterone 18-glucuronide
TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(18:2(9Z,12Z)/20:2(11Z,14Z))
PI(18:0/20:3(5Z,8Z,11Z))
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))
TG(16:1(9Z)/24:0/20:3n6)
PC(dm18:1(11Z)/dm16:0)
TG(16:1(9Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(11Z)/16:1(9Z)/20:2n6)
TG(18:1(9Z)/16:0/18:2(9Z,12Z))
PE(18:4(6Z,9Z,12Z,15Z)/14:0)
TG(16:1(9Z)/20:3n6/18:3(9Z,12Z,15Z))
PS(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))
TG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
PG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))
PIP2(20:1(11Z)/16:0)
TG(15:0/16:0/22:2(13Z,16Z))
TG(20:0/14:0/22:1(13Z))
Meloxicam
TG(18:1(11Z)/20:3n6/18:4(6Z,9Z,12Z,15Z))
TG(24:0/20:0/o-18:0)
DG(20:4n6/0:0/20:4n3)
TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))
TG(15:0/o-18:0/22:0)
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(16:0/14:1(9Z)/24:1(15Z))
TG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3n6)
TG(18:1(11Z)/20:1(11Z)/22:1(13Z))
TG(24:0/14:1(9Z)/24:0)
Dihydroxyaluminium
TG(18:1(11Z)/18:1(11Z)/18:1(9Z))
PI(18:1(11Z)/18:1(9Z))
TG(20:2n6/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PIP2(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:0/20:1(11Z)/18:2(9Z,12Z))
PC(dm18:1(11Z)/dm18:0)
TG(15:0/o-18:0/18:2(9Z,12Z))
TG(18:1(9Z)/20:2n6/20:1(11Z))
Hyaluronan
TG(18:0/14:1(9Z)/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Guanfacine
TG(20:3n6/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
PS(18:0/18:1(9Z))
TG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
PC(18:1(9Z)/14:1(9Z))
Gentamicin
TG(24:0/14:0/24:1(15Z))
PC(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
TG(20:1(11Z)/22:1(13Z)/18:2(9Z,12Z))
TG(15:0/18:1(9Z)/20:3n6)
TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/o-18:0)
PC(14:1(9Z)/18:1(11Z))
Levonordefrin
5beta-Cholestanone
DG(18:4(6Z,9Z,12Z,15Z)/16:0/0:0)
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))
TG(24:1(15Z)/14:1(9Z)/18:3(9Z,12Z,15Z))
TG(20:3n6/24:1(15Z)/18:3(9Z,12Z,15Z))
PG(18:0/18:0)
TG(15:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(20:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z))
PG(16:0/16:1(9Z))
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:0)
PC(22:4(7Z,10Z,13Z,16Z)/24:0)
TG(18:2(9Z,12Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:0/16:0/20:3(5Z,8Z,11Z))
Se-Methylselenocysteine An alpha-amino acid compound having methylselanylmethyl as the side-chain.
DG(14:0/20:4(5Z,8Z,11Z,14Z)/0:0)
Ganglioside GT1c (d18:0/18:1(11Z))
TG(22:1(13Z)/24:0/22:5(4Z,7Z,10Z,13Z,16Z))
PG(18:0/16:0)
Loracarbef
TG(14:0/22:0/18:4(6Z,9Z,12Z,15Z))
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA
PC(22:4(7Z,10Z,13Z,16Z)/22:0)
3-Hydroxyisovaleryl-CoA A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxyisovaleric acid.
DG(24:1n9/0:0/18:3n3)
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))
TG(20:2n6/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PC(18:1(9Z)/20:3(8Z,11Z,14Z))
TG(14:0/20:2n6/15:0)
TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:2n6)
PI(18:0/20:4(8Z,11Z,14Z,17Z))
TG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))
TG(24:0/20:3(5Z,8Z,11Z)/22:1(13Z))
TG(20:3n6/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:2(9Z,12Z)/18:1(11Z))
TG(15:0/22:1(13Z)/18:4(6Z,9Z,12Z,15Z))
Prostaglandin I2 A prostaglandins I that has formula C20H32O5.
TG(14:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z))
TG(24:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))
TG(22:0/18:4(6Z,9Z,12Z,15Z)/20:3n6)
Dantrolene The hydrazone resulting from the formal condensation of 5-(4-nitrophenyl)furfural with 1-aminohydantoin.
TG(18:1(9Z)/20:1(11Z)/24:1(15Z))
TG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/o-18:0)
DG(14:1n5/0:0/20:4n6)
TG(20:1(11Z)/24:1(15Z)/20:1(11Z))
TG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))
TG(16:1(9Z)/14:0/16:1(9Z))[iso3]
TG(16:1(9Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(22:2(13Z,16Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]
TG(16:0/20:0/22:1(13Z))
TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))
SM(d18:0/16:0)
Telaprevir
TG(14:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/24:1(15Z)/20:3n6)
PE(18:2(9Z,12Z)/20:1(11Z))
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0)
TG(15:0/22:2(13Z,16Z)/22:1(13Z))
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))
Hexachlorophene
TG(18:1(9Z)/o-18:0/18:3(6Z,9Z,12Z))
TG(14:0/15:0/18:4(6Z,9Z,12Z,15Z))
DG(22:4(7Z,10Z,13Z,16Z)/22:0/0:0)
TG(14:0/22:0/16:1(9Z))
TG(16:0/18:1(9Z)/24:0)
TG(20:3n6/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
All-trans-retinoic acid A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.
N-Methyltryptamine A tryptamine alkaloid that has formula C11H14N2.
TG(16:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:0)
SM(d18:1/22:1(13Z))
TG(16:0/20:4(5Z,8Z,11Z,14Z)/24:0)
DG(14:0/0:0/20:4n6)
TG(18:1(9Z)/14:1(9Z)/20:3n6)
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))
TG(14:0/24:1(15Z)/20:3(5Z,8Z,11Z))
TG(14:0/o-18:0/18:3(9Z,12Z,15Z))
TG(16:0/16:1(9Z)/20:3n6)
TG(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(20:3(5Z,8Z,11Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE(14:1(9Z)/18:1(11Z))
TG(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]
1-(sn-Glycero-3-phospho)-1D-myo-inositol A myo-inositol monophosphate derivative that is 1D-myo-inositol substituted at position 1 by an sn-glycero-3-phospho group.
TG(16:0/18:1(9Z)/22:0)
TG(14:0/22:2(13Z,16Z)/24:1(15Z))
TG(24:1(15Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/22:0/24:1(15Z))
TG(14:0/15:0/16:1(9Z))
TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))
TG(22:2(13Z,16Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z))
Pentobarbital A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.
Glycyrrhetinic acid
TG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(20:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
PC(20:0/20:0)
TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(14:0/20:4(8Z,11Z,14Z,17Z)/20:0)
TG(22:4(7Z,10Z,13Z,16Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:3n6)
TG(15:0/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(22:1(13Z)/18:1(11Z)/o-18:0)
TG(18:1(9Z)/18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
Phytanoyl-CoA The S-phytanoyl derivative of coenzyme A.
19-Oxotestosterone An androstanoid that is testosterone with an oxo group at position 19.
PE(18:0/24:0)
TG(24:0/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
PE(16:0/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))
TG(20:2n6/24:1(15Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/18:1(11Z)/22:2(13Z,16Z))
Heptanoyl-CoA A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptanoic acid.
(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid
TG(22:1(13Z)/18:0/18:3(9Z,12Z,15Z))
TG(18:0/24:0/18:3(6Z,9Z,12Z))
TG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))
TG(18:0/20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
TG(20:0/22:1(13Z)/20:2n6)
TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]
TG(16:0/22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
TG(18:0/20:3(5Z,8Z,11Z)/22:2(13Z,16Z))
PC(15:0/18:1(9Z))
TG(22:4(7Z,10Z,13Z,16Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Chenodeoxycholic acid sulfate
TG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
TG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/24:1(15Z))
Cobalamin A cobalt-corrinoid hexaamide that is cobalamin with the oxidation state of the central cobalt atom unspecified.
TG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
Ganglioside GM2 (d18:0/23:0)
TG(18:2(9Z,12Z)/20:0/20:2n6)
TG(14:1(9Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:0/20:2n6/20:4(5Z,8Z,11Z,14Z))
TG(20:4(8Z,11Z,14Z,17Z)/14:0/o-18:0)
PC(18:1(11Z)/24:1(15Z))
PE(14:0/18:3(9Z,12Z,15Z))
TG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
TG(15:0/20:3n6/18:0)
TG(22:2(13Z,16Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(20:3(5Z,8Z,11Z)/22:0/0:0)
TG(20:0/24:1(15Z)/18:2(9Z,12Z))
PE(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)
PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
TG(24:0/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
TG(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]
Ganglioside GM3 (d18:1/26:1(17Z)))
Papaverine A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.
TG(20:4(5Z,8Z,11Z,14Z)/18:0/20:4(5Z,8Z,11Z,14Z))
OPC8-CoA An organic molecule that has formula C39H64N7O18P3S.
TG(24:1(15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
LysoPC(14:1(9Z))
Ganglioside GT1b (d18:0/24:1(15Z))
TG(15:0/18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/14:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/15:0/18:2(9Z,12Z))
PE(18:4(6Z,9Z,12Z,15Z)/P-18:0)
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Trihexosylceramide (d18:1/25:0)
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/o-18:0)
TG(18:1(11Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Glimepiride A N-acylurea that has formula C24H34N4O5S.
TG(20:1(11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/18:1(9Z)/20:2n6)
TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))
PS(14:1(9Z)/18:2(9Z,12Z))
TG(14:1(9Z)/o-18:0/14:1(9Z))
TG(22:1(13Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
DG(14:0/18:2(9Z,12Z)/0:0)
TG(20:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))
TG(18:1(9Z)/20:1(11Z)/20:2n6)
TG(20:3n6/24:0/o-18:0)
TG(16:0/20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
7-Methyladenine Adenine substituted with a methyl group at position N-7.
DG(24:1n9/0:0/24:1n9)
PC(16:0/15:0)
TG(18:2(9Z,12Z)/15:0/18:3(6Z,9Z,12Z))
MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)
TG(18:1(9Z)/16:1(9Z)/24:1(15Z))
TG(16:0/18:2(9Z,12Z)/20:0)[iso6]
PC(dm16:0/dm18:1(11Z))
TG(15:0/18:0/18:1(11Z))
PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(16:1(9Z)/20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PIP(18:1(11Z)/20:3(8Z,11Z,14Z))
TG(14:1(9Z)/24:0/18:4(6Z,9Z,12Z,15Z))
PC(18:2(9Z,12Z)/P-18:1(11Z))
DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
DG(24:1(15Z)/16:0/0:0)
CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
TG(20:1(11Z)/20:0/20:2n6)
TG(16:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/20:4(8Z,11Z,14Z,17Z))
TG(20:1(11Z)/14:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/o-18:0/20:1(11Z))
TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:0)
TG(20:0/14:0/22:0)
D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose
TG(20:2n6/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/18:1(9Z)/20:3n6)
TG(20:5(5Z,8Z,11Z,14Z,17Z)/o-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/15:0/18:1(11Z))
TG(20:0/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
Alizapride
TG(14:0/18:2(9Z,12Z)/15:0)
Imipramine A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.
TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(22:1(13Z)/20:3(5Z,8Z,11Z)/24:1(15Z))
TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Glucosylsphingosine
TG(24:0/20:3n6/18:1(11Z))
TG(22:0/14:0/22:1(13Z))
Pentosan Polysulfate
Guanidoacetic acid
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/18:3(9Z,12Z,15Z))
TG(24:0/24:1(15Z)/22:1(13Z))
TG(20:3n6/18:3(9Z,12Z,15Z)/20:3n6)
TG(18:0/18:2(9Z,12Z)/20:2n6)
TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
TG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))
Hexadecenal
TG(20:1(11Z)/18:0/20:3n6)
TG(24:1(15Z)/14:0/18:3(6Z,9Z,12Z))
PC(20:4(8Z,11Z,14Z,17Z)/18:0)
TG(18:1(9Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/o-18:0)
PC(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))
TG(16:0/20:3n6/o-18:0)
PE(14:0/18:1(11Z))
PE(20:3(8Z,11Z,14Z)/16:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(20:2n6/24:0/20:3n6)
PI(18:0/18:2(9Z,12Z))
Minaprine
TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/18:3(9Z,12Z,15Z))
TG(18:1(11Z)/22:0/20:4(8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
I(-) A canonical ribonucleotide residue derived from IMP.
Pregnenolone
TG(18:3(6Z,9Z,12Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(15:0/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))
PE(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/20:3n6)
TG(14:0/18:3(6Z,9Z,12Z)/20:0)
2-Methylhexanoyl-CoA
TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PE(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Ganglioside GT1c (d18:0/16:0)
TG(18:1(11Z)/18:0/22:1(13Z))
TG(24:0/22:1(13Z)/24:0)
TG(14:1(9Z)/16:0/14:1(9Z))
TG(24:0/16:0/18:1(9Z))
Cer(d18:1/26:0)
Olmesartan A biphenylyltetrazole that has formula C24H26N6O3.
TG(22:0/20:3(5Z,8Z,11Z)/18:2(9Z,12Z))
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/24:1(15Z))
TG(16:0/22:0/24:1(15Z))
TG(20:0/22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(15:0/14:0/24:1(15Z))
TG(20:3n6/16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PC(18:1(11Z)/18:3(9Z,12Z,15Z))
TG(20:3(5Z,8Z,11Z)/o-18:0/22:5(4Z,7Z,10Z,13Z,16Z))
TG(20:2n6/20:3n6/22:2(13Z,16Z))
DG(20:3n6/0:0/22:2n6)
Dienestrol
PE(18:1(11Z)/P-16:0)
Ferrocytochrome Any cytochrome containing a ferroheme.
TG(20:3(5Z,8Z,11Z)/16:0/18:3(9Z,12Z,15Z))
TG(20:0/20:2n6/18:1(11Z))
PE(24:0/P-18:1(9Z))
TG(14:0/18:3(6Z,9Z,12Z)/22:0)
PC(24:0/P-18:1(11Z))
TG(15:0/18:1(9Z)/18:3(6Z,9Z,12Z))
TG(20:2n6/18:3(9Z,12Z,15Z)/22:2(13Z,16Z))
TG(20:3(5Z,8Z,11Z)/20:0/22:4(7Z,10Z,13Z,16Z))
PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z))
Alpha-Muricholic acid A bile acid that has formula C24H40O5.
TG(22:4(7Z,10Z,13Z,16Z)/20:2n6/o-18:0)
TG(20:3n6/18:4(6Z,9Z,12Z,15Z)/20:3n6)
Adenosyl cobinamide A cobalt-corrinoid hexaamide comprising cobinamide having an adenosyl group attached to cobalt.
D-Erythrose 4-phosphate An erythrose phosphate that is D-erythrose carrying a phosphate group at position 4. It is an intermediate in the pentose phosphate pathway and Calvin cycle.
TG(15:0/22:4(7Z,10Z,13Z,16Z)/15:0)
TG(24:1(15Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:2(9Z,12Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
TG(16:0/15:0/20:1(11Z))
TG(16:1(9Z)/14:1(9Z)/16:1(9Z))
TG(14:1(9Z)/20:2n6/18:3(6Z,9Z,12Z))
PC(20:2(11Z,14Z)/18:1(9Z))
TG(20:3n6/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
2-(a-Hydroxyethyl)thiamine diphosphate
TG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))
TG(16:0/18:4(6Z,9Z,12Z,15Z)/24:0)
TG(20:4(8Z,11Z,14Z,17Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))
PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
TG(14:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:0/18:4(6Z,9Z,12Z,15Z))
TG(14:1(9Z)/22:2(13Z,16Z)/14:1(9Z))
Medroxyprogesterone A 3-oxo Delta(4)-steroid that is pregn-4-ene-3,20-dione substituted by an alpha-hydroxy group at position 17 and a methyl group at position 6.
TG(14:0/18:3(6Z,9Z,12Z)/24:1(15Z))
PS(18:0/20:3(8Z,11Z,14Z))
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(18:1(11Z)/24:1(15Z)/20:3n6)
TG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0)
TG(15:0/18:2(9Z,12Z)/24:1(15Z))
TG(16:0/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))
TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:0)
PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
TG(14:0/20:4(5Z,8Z,11Z,14Z)/14:0)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Uridine diphosphate glucose
TG(14:0/20:2n6/24:0)
TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:0)
TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))
PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)
TG(14:1(9Z)/18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
TG(14:0/18:3(9Z,12Z,15Z)/20:3n6)
TG(15:0/20:0/14:1(9Z))[iso6]
TG(22:2(13Z,16Z)/15:0/22:2(13Z,16Z))
TG(24:0/14:1(9Z)/14:1(9Z))
TG(22:1(13Z)/14:0/18:2(9Z,12Z))
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))
DG(22:1n9/0:0/20:3n6)
TG(24:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))
TG(14:1(9Z)/15:0/18:2(9Z,12Z))
DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)
Lamotrigine A member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6.
TG(18:2(9Z,12Z)/14:0/18:3(6Z,9Z,12Z))
Ganglioside GM1 (d18:0/16:0)
TG(22:2(13Z,16Z)/22:0/22:4(7Z,10Z,13Z,16Z))
TG(16:0/18:3(9Z,12Z,15Z)/18:1(9Z))
PC(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Glucosylceramide (d18:1/24:1(15Z))
TG(16:0/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Cefazolin A cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups.
(+)-7-Isojasmonic acid CoA An organic molecule that has formula C33H52N7O18P3S.
TG(16:1(9Z)/18:3(6Z,9Z,12Z)/o-18:0)
TG(20:3n6/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))
PC(16:0/22:1(13Z))
TG(14:0/18:1(9Z)/14:1(9Z))
TG(20:0/14:1(9Z)/18:2(9Z,12Z))
TG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
TG(22:2(13Z,16Z)/o-18:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:0/20:3n6/20:4(5Z,8Z,11Z,14Z))
PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))
DG(20:3(5Z,8Z,11Z)/14:1(9Z)/0:0)
TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3]
DG(22:0/18:1(9Z)/0:0)
TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))
TG(22:5(4Z,7Z,10Z,13Z,16Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:0/22:0/22:5(7Z,10Z,13Z,16Z,19Z))
TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))
TG(22:1(13Z)/16:0/20:4(8Z,11Z,14Z,17Z))