CFam Chemical Families Database
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You are searching for "CFAMM00537544" in compound.

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CFAM Mol ID CFAMM00537544
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 HMDB31073 External Source HMDB
PubChem CID 534607 Functional Category Human Metabolite
Molecule Name 12-Methyl-13-tridecanolide
IUPAC Name 13-methyl-1-oxacyclotetradecan-2-one
Synonyms 13-Methyloxacyclotetradecan-2-one;6-Methylheptyl palmitate;Hexadecanoic acid isooctyl ester;Isooctyl palmitate;Palmitic acid, iso octyl ester;Palmitic acid, isooctyl ester;Palmitic acid, isooctyl ester (8CI)
InChi InChI=1/C14H26O2/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)16-12-13/h13H,2-12H2,1H3
InChiKey NFNWPPOMMYDNFQ-UHFFFAOYNA-N
Formula C14H26O2 Molecular Weight 226.35
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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