CHEBI:15688 - acetoin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways
ChEBI Name acetoin
ChEBI ID CHEBI:15688
Definition A methyl ketone that is butan-2-one substituted by a hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22181, CHEBI:13707, CHEBI:11831, CHEBI:2397
Supplier Information
Save molfile Download Molfile
Formula C4H8O2
Net Charge 0
Average Mass 88.10512
InChI InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
InChIKey ROWKJAVDOGWPAT-UHFFFAOYSA-N
SMILES CC(O)C(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetoin (CHEBI:15688) has role metabolite (CHEBI:25212)
acetoin (CHEBI:15688) is a methyl ketone (CHEBI:51867)
acetoin (CHEBI:15688) is a secondary alcohol (CHEBI:35681)
Incoming (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 Sources
(S)-2-Acetoin KEGG COMPOUND
1-Hydroxyethyl methyl ketone ChemIDplus
2,3-Butanolone ChemIDplus
2-Acetoin KEGG COMPOUND
2-Hydroxy-3-butanone ChemIDplus
3-Hydroxy-2-butanone KEGG COMPOUND
3-Hydroxybutan-2-one KEGG COMPOUND
Acetoin KEGG COMPOUND
acetoin UniProt
Acetyl methyl carbinol ChemIDplus
Dimethylketol KEGG COMPOUND
gamma-Hydroxy-beta-oxobutane ChemIDplus
Database Links Databases
C00466 KEGG COMPOUND
C01769 KEGG COMPOUND
DB02788 DrugBank
View more database links
Registry Numbers Types Sources
513-86-0 CAS Registry Number KEGG COMPOUND
513-86-0 CAS Registry Number ChemIDplus
Last Modified
23 October 2015