CHEBI:78816 - 5-hydroxyhexan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-hydroxyhexan-2-one
ChEBI ID CHEBI:78816
Definition A ketone that is hexan-2-one in which one of the hydrogens at position 5 is replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H12O2
Net Charge 0
Average Mass 116.15830
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h5,7H,3-4H2,1-2H3
InChIKey ZSDLLTJVENEIDW-UHFFFAOYSA-N
SMILES CC(O)CCC(C)=O
ChEBI Ontology
Outgoing 5-hydroxyhexan-2-one (CHEBI:78816) is a ketone (CHEBI:17087)
5-hydroxyhexan-2-one (CHEBI:78816) is a secondary alcohol (CHEBI:35681)
Incoming (5R)-5-hydroxyhexan-2-one (CHEBI:78817) is a 5-hydroxyhexan-2-one (CHEBI:78816)
IUPAC Name
5-hydroxyhexan-2-one
Synonym Source
5-hydroxy-2-hexanone ChemIDplus
Registry Numbers Types Sources
1741900 Reaxys Registry Number Reaxys
56745-61-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10511266 PubMed citation Europe PMC
2893702 PubMed citation Europe PMC
6232975 PubMed citation Europe PMC
Last Modified
12 June 2014