HMDB Metabolites of Enzymes Dataset

Name: HMDB Metabolites of Enzymes
Creator: Ma'ayan Laboratory of Computational Systems Biology
Keywords: physical interactions

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)	Wishart, DS et al. (2013) HMDB 3.0--The Human Metabolome Database in 2013. Nucleic Acids Res. 41:D801-7. Wishart, DS et al. (2007) HMDB: the Human Metabolome Database. Nucleic Acids Res. 35:D521-6.
Last Updated	2015 Apr 06
Stats	5326 genes 22137 metabolites 845725 gene-metabolite associations

Data Access

API
Script
Downloads	gene-attribute matrix gene-attribute edge list gene set library attribute set library gene list attribute list gene similarity matrix attribute similarity matrix processing scripts

Visualizations

Attribute Similarity
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.

Harmonizome 3.0

HMDB Metabolites of Enzymes Dataset

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