CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00113925" in compound.

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CFAM Mol ID CFAMM00113925
Family CFFAD946 Diacylglycerol O-acyltransferase 2 and Hydroxycarboxylic acid receptor 2 Ligand Vitamin B3 Family
Superfamily CFSAD796 Diacylglycerol O-acyltransferase 2 and Hydroxycarboxylic acid receptor 2 Ligand Vitamin B3 Superfamily
Class CFCAD710 Class 710
External ID HMDB00875 External Source HMDB
PubChem CID 5570 Functional Category Human Metabolite
Molecule Name Trigonelline
IUPAC Name 1-methylpyridin-1-ium-3-carboxylate
Synonyms 1-Methyl-3-pyridiniumcarboxylate;1-Methylpyridinio-3-carboxylate;3-Carboxy-1-methyl-Pyridinium hydroxide inner salt;3-Carboxy-1-methylpyridinium hydroxide inner salt;Betain nicotinate;Betaine nicotinate;Caffearin;Caffearine;Coffearin;Coffearine;Gynesine;N'-Methylnicotinate;N'-Methylnicotinic acid;N-Methylnicotinate;N-Methylnicotinic acid;Nicotinic acid N-methylbetaine;Trigenelline;Trigenolline;Trigonellin;Trigonelline
InChi InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
Formula C7H7NO2 Molecular Weight 137.14
Cross Link CHEMBL350675

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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