CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00537520" 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 CFAMM00537520
Family CFFHM793 Fatty Acid Esters Metabolite 3-Methylbutyl nonanoate 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 HMDB38729 External Source HMDB
PubChem CID 16255 Functional Category Human Metabolite
Molecule Name 3-Methylbutyl octanoate
IUPAC Name 3-methylbutyl octanoate
Synonyms 3-Methylbutyl octanoate;FEMA 2080;Iso-amyl N-octanoate;Isoamyl caprylate;Isoamyl octanoate;Isoamyl octylate;Isopentyl alcohol, octanoate;Isopentyl octanoate;Isopentyl octylate;N-Caprylic acid isoamyl ester;Octanoic acid, 3-methylbutyl ester;Octanoic acid, isoamyl ester;Octanoic acid, isopentyl ester
InChi InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
InChiKey XKWSWANXMRXDES-UHFFFAOYSA-N
Formula C13H26O2 Molecular Weight 214.34
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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