CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00540230" in compound.

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CFAM Mol ID CFAMM00540230
Family CFFHM1283 Fatty Alcohol Esters Metabolite Octyl 3-methylbutanoate Family
Superfamily CFSHM452 Fatty Acid Esters Metabolite 3-Methylbutyl nonanoate and Fatty Alcohol Esters Metabolite Octyl 3-methylbutanoate Superfamily
Class CFCHM270 Class 7355
External ID HMDB34140 External Source HMDB
PubChem CID 228769 Functional Category Human Metabolite
Molecule Name Octyl 3-methylbutanoate
IUPAC Name octyl 3-methylbutanoate
Synonyms Butanoic acid, 3-methyl-, octyl ester;FEMA 2814;Isovaleric acid, octyl ester;Isovaleric acid, octyl ester (8CI);N-Octyl-3-methyl butyrate;Octyl 3-methylbutanoate;Octyl 3-methylbutyrate;Octyl isopentanoate;Octyl isovalerate;Octyl isovalerianate
InChi InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3
Formula C13H26O2 Molecular Weight 214.34
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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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