CHEBI:15687 - (S)-acetoin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-acetoin
ChEBI ID CHEBI:15687
ChEBI ASCII Name (S)-acetoin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43165, CHEBI:11058, CHEBI:412, CHEBI:18770
Supplier Information
Download Molfile XML SDF
Formula C4H8O2
Net Charge 0
Average Mass 88.10512
Monoisotopic Mass 88.05243
InChI InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
InChIKey ROWKJAVDOGWPAT-VKHMYHEASA-N
SMILES C[C@H](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.
(via acetoin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-acetoin (CHEBI:15687) is a acetoin (CHEBI:15688)
IUPAC Name
(3S)-3-hydroxybutan-2-one
Synonyms Sources
(S)-2-acetoin ChEBI
(S)-2-Acetoin KEGG COMPOUND
(S)-acetoin ChEBI
(S)-Acetoin KEGG COMPOUND
(S)-acetoin UniProt
Manual Xref Database
C01769 KEGG COMPOUND
View more database links
Last Modified
06 March 2015