CHEBI:87583 - hexane-2,3-dione

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ChEBI Name hexane-2,3-dione
ChEBI ID CHEBI:87583
Definition An α-diketone that is hexane substituted by oxo groups at positions 2 and 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H10O2
Net Charge 0
Average Mass 114.14240
Monoisotopic Mass 114.06808
InChI InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
InChIKey MWVFCEVNXHTDNF-UHFFFAOYSA-N
SMILES CCCC(=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.
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ChEBI Ontology
Outgoing 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 diketone ChemIDplus
Manual Xref Database
HMDB0031491 HMDB
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Registry Numbers Types Sources
1699896 Reaxys Registry Number Reaxys
3848-24-6 CAS Registry Number NIST Chemistry WebBook
3848-24-6 CAS Registry Number ChemIDplus
Last Modified
23 October 2015