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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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
View more database links
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