CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00538223" in compound.

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CFAM Mol ID CFAMM00538223
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 HMDB31638 External Source HMDB
PubChem CID 12217 Functional Category Human Metabolite
Molecule Name Pentyl propanoate
IUPAC Name pentyl propanoate
Synonyms Amyl propanoate;Amyl propionate;N-Amyl N-propionate;N-Amyl propionate;N-Pentyl propanoate;N-Pentyl propionate;Pentyl propanate;Pentyl propanoate;Pentyl propionate;Propanoic acid, pentyl ester;Propionic acid, pentyl ester;Propionic acid, pentyl ester (6CI,7CI,8CI)
InChi InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
InChiKey TWSRVQVEYJNFKQ-UHFFFAOYSA-N
Formula C8H16O2 Molecular Weight 144.21
Cross Link
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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