CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00072672" 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.

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CFAM Mol ID CFAMM00072672
Family CFFAD531 Prostaglandin G/H synthase 1 Inhibitor Salicyclic Acid Family
Superfamily CFSAD123 Prostaglandin G/H synthase inhibitor salicylates and derivatives Superfamily
Class CFCAD121 Class 121
External ID HMDB04062 External Source HMDB
PubChem CID 70949 Functional Category Human Metabolite
Molecule Name Gentisate aldehyde
IUPAC Name 2,5-dihydroxybenzaldehyde
Synonyms 2,5-Dihydroxybenzaldehyde;2,5-Dihydroxybenzaldehyde polymer;Gentisaldehyde
InChi InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H
InChiKey CLFRCXCBWIQVRN-UHFFFAOYSA-N
Formula C7H6O3 Molecular Weight 138.12
Cross Link CHEMBL243186
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
 

 

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Dr. Chen Yuzong

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


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