CFam Chemical Families Database
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You are searching for "CFAMM00538225" in compound.

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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 CFAMM00538225
Family CFFHM932 Fatty Acid Esters Metabolite Pentyl butanoate Family
Superfamily CFSHM546 Fatty Acid Esters Metabolite Pentyl butanoate and Keto-Acids Metabolite Propyl levulinate Superfamily
Class CFCBM3830 Class 6880
External ID HMDB40295 External Source HMDB
PubChem CID 61137 Functional Category Human Metabolite
Molecule Name Butyl pentanoate
IUPAC Name butyl pentanoate
Synonyms Butyl pentanoate;Butyl valerate;Butyl valerianate;FEMA 2217;N-Butyl pentanoate;N-Butyl valerate;Pentanoic acid, butyl ester;Valeric acid, butyl ester
InChi InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChiKey OKJADYKTJJGKDX-UHFFFAOYSA-N
Formula C9H18O2 Molecular Weight 158.24
Cross Link CHEMBL47155
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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