CFam Chemical Families Database
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You are searching for "CFAMM00537546" in compound.

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CFAM Mol ID CFAMM00537546
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 HMDB37495 External Source HMDB
PubChem CID 522676 Functional Category Human Metabolite
Molecule Name 3-Methylbutyl nonanoate
IUPAC Name 3-methylbutyl nonanoate
Synonyms 3-Methylbutyl nonanoate;3-Methylbutyl pelargonate;Isoamyl nonanoate;Isoamyl nonoate;Isoamyl nonylate;Isoamyl pelargonate;Isopentyl nonanoate;Isopentyl nonylate;Isopentyl pelargonate;Nonanoic acid, 3-methylbutyl ester;Nonanoic acid, isopentyl ester
InChi InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
InChiKey SHGMLOSSRPFLKG-UHFFFAOYSA-N
Formula C14H28O2 Molecular Weight 228.37
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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