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CHEBI:28398 - butan-2-one
| Formula | C4H8O |
| Net Charge | 0 |
| Average Mass | 72.107 |
| Monoisotopic Mass | 72.05751 |
| SMILES | CCC(C)=O |
| InChI | InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3 |
| InChIKey | ZWEHNKRNPOVVGH-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
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| 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 Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| Application: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| butan-2-one (CHEBI:28398) has role bacterial metabolite (CHEBI:76969) |
| butan-2-one (CHEBI:28398) has role polar aprotic solvent (CHEBI:48358) |
| butan-2-one (CHEBI:28398) is a butanone (CHEBI:22951) |
| butan-2-one (CHEBI:28398) is a dialkyl ketone (CHEBI:18044) |
| butan-2-one (CHEBI:28398) is a methyl ketone (CHEBI:51867) |
| butan-2-one (CHEBI:28398) is a volatile organic compound (CHEBI:134179) |
| Incoming Relation(s) |
| 1-hydroxy-3-methylbutan-2-one (CHEBI:195497) has functional parent butan-2-one (CHEBI:28398) |
| 1-hydroxybutan-2-one (CHEBI:88390) has functional parent butan-2-one (CHEBI:28398) |
| 1,3-dihydroxybutan-2-one (CHEBI:143962) has functional parent butan-2-one (CHEBI:28398) |
| 3-cyano-2-butanone (CHEBI:87599) has functional parent butan-2-one (CHEBI:28398) |
| 4-hydroxybutan-2-one (CHEBI:41268) has functional parent butan-2-one (CHEBI:28398) |
| buten-2-one (CHEBI:48058) has functional parent butan-2-one (CHEBI:28398) |
| butyn-2-one (CHEBI:48060) has functional parent butan-2-one (CHEBI:28398) |
| IUPAC Name |
|---|
| butan-2-one |
| Synonyms | Source |
|---|---|
| 2-Butanon | ChEBI |
| 2-Butanone | KEGG COMPOUND |
| 3-butanone | ChemIDplus |
| Äthylmethylketon | ChemIDplus |
| butanone | NIST Chemistry WebBook |
| butanone 2 | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| butan-2-one | UniProt |
| Manual Xrefs | Databases |
|---|---|
| Butanone | Wikipedia |
| c0020 | UM-BBD |
| C02845 | KEGG COMPOUND |
| HMDB0000474 | HMDB |
| LMFA12000043 | LIPID MAPS |
| MEK | MetaCyc |
| Citations |
|---|