CFam Chemical Families Database
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You are searching for "CFAMM00540232" in compound.

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CFAM Mol ID CFAMM00540232
Family CFFHM1283 Fatty Alcohol Esters Metabolite Octyl 3-methylbutanoate Family
Superfamily CFSHM452 Fatty Acid Esters Metabolite 3-Methylbutyl nonanoate and Fatty Alcohol Esters Metabolite Octyl 3-methylbutanoate Superfamily
Class CFCHM270 Class 7355
External ID HMDB40171 External Source HMDB
PubChem CID 61304 Functional Category Human Metabolite
Molecule Name Heptyl 2-methylpropanoate
IUPAC Name heptyl 2-methylpropanoate
Synonyms -heptyl iso-butyrate;FEMA 2550;Heptyi isobutyrate;Heptyl 2-methylpropanoate;Heptyl iobutyrate;Heptyl isobutanoate;Heptyl isobutyrate;Isobutyric acid, heptyl ester;N-Heptyl iso-butyrate;Propanoic acid, 2-methyl-, heptyl ester
InChi InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3
InChiKey RFDUMBPGZUIKOG-UHFFFAOYSA-N
Formula C11H22O2 Molecular Weight 186.29
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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