CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00538229" in compound.

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CFAM Mol ID CFAMM00538229
Family CFFHM932 Fatty Acid Esters Metabolite Pentyl butanoate Family
Superfamily CFSHM546 Fatty Acid Esters Metabolite Pentyl butanoate and Keto-Acids Metabolite Propyl levulinate Superfamily
Class CFCBM3830 Class 6880
External ID HMDB39219 External Source HMDB
PubChem CID 43263 Functional Category Human Metabolite
Molecule Name 1-Methylbutyl butanoate
IUPAC Name pentan-2-yl butanoate
Synonyms 1-Methylbutyl butanoate;1-Methylbutyl butyrate;2-Pentyl butanoate;2-Pentyl butyrate;Butanoic Acid, 1-methylbutyl Ester;Butanoic acid, 2-pentyl ester;Butyric acid, sec-pentyl ester;FEMA 3893;Sec-amyl butyrate
InChi InChI=1/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
InChiKey DJOCFLQKCMWABC-UHFFFAOYNA-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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