CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00540233" in compound.

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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 CFAMM00540233
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 HMDB36219 External Source HMDB
PubChem CID 520455 Functional Category Human Metabolite
Molecule Name Octyl 2-methylbutyrate
IUPAC Name octyl 2-methylbutanoate
Synonyms Butanoic acid, 2-methyl-, octyl ester;Butyric acid, 2-methyl-, octyl ester;FEMA 3604;N-Octyl 2-methyl butyrate;N-Octyl 2-methylbutanoate;Octyl 2-methyl butyrate;Octyl 2-methylbutanoate;Octyl 2-methylbutyrate
InChi InChI=1/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/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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National University of Singapore, Singapore

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