CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00536374" in compound.

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CFAM Mol ID CFAMM00536374
Family CFFHM661 Fatty Alcohol Esters Metabolite Dodecyl propionate Family
Superfamily CFSHM386 Carboxylic Acids Metabolite (±)-3-Octyl acetate and Oxolanes Metabolite 4-Acetoxy-2-hexyltetrahydrofuran Superfamily
Class CFCHM239 Class 7324
External ID HMDB29980 External Source HMDB
PubChem CID 8908 Functional Category Human Metabolite
Molecule Name Hexyl acetate
IUPAC Name hexyl acetate
Synonyms 1-Hexyl acetate;1-Octanamine, Hydrochloride;Acetate C6;Acetic acid N-hexyl ester;Acetic acid, hexyl ester;FEMA 2565;Hexyl acetate;Hexyl alcohol, acetate;Hexyl ester of acetic acid;Hexyl ethanoate;Methylamyl acetate;N-Hexyl acetate;N-Hexyl ethanoate
InChi InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChiKey AOGQPLXWSUTHQB-UHFFFAOYSA-N
Formula C8H16O2 Molecular Weight 144.21
Cross Link CHEMBL2228454
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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