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CHEBI:16583 - butane-2,3-dione

ChEBI IDCHEBI:16583
ChEBI Namebutane-2,3-dione
Stars
DefinitionAn α-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.
Secondary ChEBI IDsCHEBI:4479, CHEBI:14134
Last Modified23 October 2015
DownloadsMolfile
FormulaC4H6O2
Net Charge0
Average Mass86.090
Monoisotopic Mass86.03678
SMILESCC(=O)C(C)=O
InChIInChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChIKeyQSJXEFYPDANLFS-UHFFFAOYSA-N
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
butane-2,3-dione (CHEBI:16583) has role Escherichia coli metabolite (CHEBI:76971)
butane-2,3-dione (CHEBI:16583) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
butane-2,3-dione (CHEBI:16583) is a α-diketone (CHEBI:51869)
IUPAC Name 
butane-2,3-dione
Synonyms  Source
2,3-ButadioneChemIDplus
2,3-butandioneNIST Chemistry WebBook
2,3-ButanedioneKEGG COMPOUND
2,3-DiketobutaneChemIDplus
2,3-DioxobutaneChemIDplus
BiacetylKEGG COMPOUND
UniProt Name  Source
diacetylUniProt
Manual XrefsDatabases
C00741KEGG COMPOUND
HMDB0003407HMDB
Registry NumbersSources
Reaxys:605398Reaxys
CAS:431-03-8KEGG COMPOUND
CAS:431-03-8ChemIDplus
CAS:431-03-8NIST Chemistry WebBook
Citations