CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00533331" in compound.

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CFAM Mol ID CFAMM00533331
Family CFFHM267 Carbonyl Compounds Metabolite Methyl isobutyl ketone Family
Superfamily CFSHM171 Carbonyl Compounds Metabolite Methyl isobutyl ketone Superfamily
Class CFCHM112 Class 7197
External ID HMDB02939 External Source HMDB
PubChem CID 7909 Functional Category Human Metabolite
Molecule Name Methyl isobutyl ketone
IUPAC Name 4-methylpentan-2-one
Synonyms 2-Methyl-4-pentanal;2-Methyl-4-pentanone;2-Methylpropyl methyl ketone;4-Methyl-2-oxopentane;4-Methyl-2-pentanon;4-Methyl-2-pentanone;4-Methyl-pentan-2-on;4-Methylpentan-2-one;4-Metilpentan-2-one;Ethyl iso-butyl ketone;Hexanone;Hexon;Hexone;Isobutyl methyl ketone;Isobutyl-methylketon;Isohexanone;Isopropyl acetone;Isopropylacetone;Methyl I-butyl ketone;Methyl isobutyl ketone;Methyl-isobutyl-cetone;Methylisobutylketon;Methylpentan-2-one;Metilisobutilchetone;Metyloizobutyloketon;Shell mibk
InChi InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
Formula C6H12O Molecular Weight 100.16
Cross Link CHEMBL285323

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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