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CHEBI:15688 - acetoin

ChEBI IDCHEBI:15688
ChEBI Nameacetoin
Stars
DefinitionA methyl ketone that is butan-2-one substituted by a hydroxy group at position 3.
Secondary ChEBI IDsCHEBI:2397, CHEBI:11831, CHEBI:13707, CHEBI:22181
Last Modified5 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H8O2
Net Charge0
Average Mass88.106
Monoisotopic Mass88.05243
SMILESCC(=O)C(C)O
InChIInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
InChIKeyROWKJAVDOGWPAT-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
acetoin (CHEBI:15688) has role metabolite (CHEBI:25212)
acetoin (CHEBI:15688) is a methyl ketone (CHEBI:51867)
acetoin (CHEBI:15688) is a secondary α-hydroxy ketone (CHEBI:2468)
Incoming Relation(s)
(R)-acetoin (CHEBI:15686) is a acetoin (CHEBI:15688)
(S)-acetoin (CHEBI:15687) is a acetoin (CHEBI:15688)
IUPAC Name 
3-hydroxybutan-2-one
Synonyms  Source
AcetoinKEGG COMPOUND
2-AcetoinKEGG COMPOUND
3-Hydroxybutan-2-oneKEGG COMPOUND
3-Hydroxy-2-butanoneKEGG COMPOUND
DimethylketolKEGG COMPOUND
1-Hydroxyethyl methyl ketoneChemIDplus
UniProt Name  Source
acetoinUniProt
Manual XrefsDatabases
C00466KEGG COMPOUND
DB02788DrugBank
C01769KEGG COMPOUND
Registry NumbersSources
CAS:513-86-0KEGG COMPOUND
CAS:513-86-0ChemIDplus