CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00537533" in compound.

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CFAM Mol ID CFAMM00537533
Family CFFHM793 Fatty Acid Esters Metabolite 3-Methylbutyl nonanoate 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 ZINC02159728 External Source ZINC
PubChem CID 1807132 Functional Category Natural Product
Molecule Name (3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methylheptanoate
IUPAC Name (3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methylheptanoate
Synonyms AC1LXTD3;(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methylheptanoate
InChi InChI=1S/C15H28O3/c1-11(2)5-6-12(9-14(16)17)13-7-8-18-15(3,4)10-13/h11-13H,5-10H2,1-4H3,(H,16,17)/p-1/t12-,13-/m0/s1
Formula C15H27O3- Molecular Weight 255.37
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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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