CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00536398" in compound.

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CFAM Mol ID CFAMM00536398
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 HMDB31480 External Source HMDB
PubChem CID 8159 Functional Category Human Metabolite
Molecule Name Heptyl acetate
IUPAC Name heptyl acetate
Synonyms 1-Heptyl acetate;Acetate C-7;Acetate C7;Acetic acid N-heptyl ester;Acetic acid, heptyl ester;FEMA 2547;Heptanol acetate;Heptanyl acetate;Heptyl acetate;Heptyl ethanoate;N-Heptyl acetate;N-Heptyl ethanoate
InChi InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
Formula C9H18O2 Molecular Weight 158.24
Cross Link CHEMBL2228455

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).

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