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CHEBI:87583 - hexane-2,3-dione

Default Structure
ChEBI IDCHEBI:87583
ChEBI Namehexane-2,3-dione
Stars
DefinitionAn α-diketone that is hexane substituted by oxo groups at positions 2 and 3 respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC6H10O2
Net Charge0
Average Mass114.144
Monoisotopic Mass114.06808
SMILESCCCC(=O)C(C)=O
InChIInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
InChIKeyMWVFCEVNXHTDNF-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)
hexane-2,3-dione (CHEBI:87583) has role metabolite (CHEBI:25212)
hexane-2,3-dione (CHEBI:87583) is a α-diketone (CHEBI:51869)
IUPAC Name 
hexane-2,3-dione
Synonym  Source
Methyl propyl diketoneChemIDplus
Manual XrefsDatabases
HMDB0031491HMDB
Registry NumbersSources
Reaxys:1699896Reaxys
CAS:3848-24-6ChemIDplus
CAS:3848-24-6NIST Chemistry WebBook