CFam Chemical Families Database
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You are searching for "CFAMM00536632" in compound.

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CFAM Mol ID CFAMM00536632
Family CFFHM682 Benzyloxycarbonyls Metabolite Benzyl acetate Family
Superfamily CFSID649 Cathepsin B Inhibitor 3-amino-4-oxybenzyl-2-butanone Superfamily
Class CFCID457 Class 1807
External ID HMDB31310 External Source HMDB
PubChem CID 8785 Functional Category Human Metabolite
Molecule Name Benzyl acetate
IUPAC Name benzyl acetate
Synonyms (acetoxymethyl)benzene;Acetato de bencilo;Acetic acid benzyl ester;Acetic acid phenylmethyl ester;Acetic acid, benzyl ester;Acetic acid, phenylmethyl ester;alpha-Acetoxytoluene;Benzyl acetate + glycine combination;Benzyl ester of acetic acid;Benzyl ethanoate;Benzylester kyseliny octove;FEMA 2135;Nchem.167-comp5;Phenylmethyl acetate;Phenylmethyl ethanoate;Plastolin I
InChi InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChiKey QUKGYYKBILRGFE-UHFFFAOYSA-N
Formula C9H10O2 Molecular Weight 150.17
Cross Link CHEMBL1233714
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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