CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00538228" 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 CFAMM00538228
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 57312055 External Source PubChem
PubChem CID 57312055 Functional Category Patent Compound
Molecule Name AGN-PC-0BR1QG
IUPAC Name ethyl 4-acetyloxypentanoate
Synonyms Pentanoic acid, 4-(acetyloxy)-, ethyl ester
InChi InChI=1S/C9H16O4/c1-4-12-9(11)6-5-7(2)13-8(3)10/h7H,4-6H2,1-3H3
InChiKey QFNQLSZZQKALRW-UHFFFAOYSA-N
Formula C9H16O4 Molecular Weight 188.22
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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