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

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

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
InChiKey WWNNZCOKKKDOPX-UHFFFAOYSA-N
Formula C7H7NO2 Molecular Weight 137.14
Cross Link CHEMBL350675
Structure

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).
 

Last update by

 
2014.08.29
 

 

27698 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00113925'),None, txtsearch, CFAMM00113925|