CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00538198" in compound.

Total 1 results found.

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 CFAMM00538198
Family CFFHM924 Fatty Acid Esters Metabolite Methyl 5-methylhexanoate Family
Superfamily CFSHM541 Fatty Acid Esters Metabolite Methyl 5-methylhexanoate Superfamily
Class CFCHM270 Class 7355
External ID 13675777 External Source PubChem
PubChem CID 13675777 Functional Category Patent Compound
Molecule Name AGN-PC-00NJIV
IUPAC Name methyl 3,5-dimethylhexanoate
Synonyms Hexanoic acid, 3,5-dimethyl-, methyl ester
InChi InChI=1S/C9H18O2/c1-7(2)5-8(3)6-9(10)11-4/h7-8H,5-6H2,1-4H3
InChiKey MJLSOWJWMHDZGW-UHFFFAOYSA-N
Formula C9H18O2 Molecular Weight 158.24
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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