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CHEBI:15347 - acetone
| Formula | C3H6O |
| Net Charge | 0 |
| Average Mass | 58.080 |
| Monoisotopic Mass | 58.04186 |
| SMILES | CC(C)=O |
| InChI | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 |
| InChIKey | CSCPPACGZOOCGX-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Chemical Role: | 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 Roles: | 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. |
| Applications: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 |
| Synonyms | Source |
|---|---|
| Acetone | KEGG COMPOUND |
| Dimethyl ketone | KEGG COMPOUND |
| 2-Propanone | KEGG COMPOUND |
| ACETONE | PDBeChem |
| methyl ketone | ChemIDplus |
| Aceton | ChemIDplus |
| UniProt Name | Source |
|---|---|
| acetone | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C00207 | KEGG COMPOUND |
| c0556 | UM-BBD |
| ACN | PDBeChem |
| Acetone | Wikipedia |
| ACETONE | MetaCyc |
| HMDB0001659 | HMDB |
| D02311 | KEGG DRUG |
| LMFA12000057 | LIPID MAPS |
| Citations |
|---|