acetone (CHEBI:15347)

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ChEBI Name	acetone

ChEBI ID	CHEBI:15347

Definition	A methyl ketone that consists of propane bearing an oxo group at C2.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:40571, CHEBI:2398, CHEBI:13708, CHEBI:22182

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Formula

C3H6O

Net Charge

Average Mass

58.07914

Monoisotopic Mass

58.04186

InChI

InChI=1S/C3H6O/c1-3(2)4/h1-2H3

InChIKey

CSCPPACGZOOCGX-UHFFFAOYSA-N

SMILES

CC(C)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Chemical Role(s):	polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.

Biological Role(s):	EC 3.5.1.4 (amidase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via ketone body )

Application(s):	polar aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. (via ketone body )

ChEBI Ontology
Outgoing	acetone (CHEBI:15347) has role EC 3.5.1.4 (amidase) inhibitor (CHEBI:77941) acetone (CHEBI:15347) has role human metabolite (CHEBI:77746) acetone (CHEBI:15347) has role polar aprotic solvent (CHEBI:48358) acetone (CHEBI:15347) is a ketone body (CHEBI:73693) acetone (CHEBI:15347) is a methyl ketone (CHEBI:51867) acetone (CHEBI:15347) is a propanones (CHEBI:26292) acetone (CHEBI:15347) is a volatile organic compound (CHEBI:134179)

Incoming	1-hydroxy-3-methoxyacetone (CHEBI:37551) has functional parent acetone (CHEBI:15347) aminoacetone (CHEBI:17906) has functional parent acetone (CHEBI:15347) bromoacetone (CHEBI:51845) has functional parent acetone (CHEBI:15347) chloroacetone (CHEBI:47220) has functional parent acetone (CHEBI:15347) hydroxyacetone (CHEBI:27957) has functional parent acetone (CHEBI:15347) 2-oxopropylidene group (CHEBI:48057) is substituent group from acetone (CHEBI:15347) 2-oxopropylidyne group (CHEBI:48059) is substituent group from acetone (CHEBI:15347) acetonyl group (CHEBI:48056) is substituent group from acetone (CHEBI:15347)

IUPAC Name

propan-2-one

Last Modified

10 July 2017