CHEBI:16583 - butane-2,3-dione

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ChEBI Name butane-2,3-dione
ChEBI ID CHEBI:16583
Definition An α-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4479, CHEBI:14134
Supplier Information ChemicalBook:CB3853625, eMolecules:478578, ZINC000001532732
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Formula C4H6O2
Net Charge 0
Average Mass 86.08924
Monoisotopic Mass 86.03678
InChI InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChIKey QSJXEFYPDANLFS-UHFFFAOYSA-N
SMILES CC(=O)C(C)=O
Roles Classification
Biological Role(s): 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 ).
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ChEBI Ontology
Outgoing 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 Sources
2,3-Butadione ChemIDplus
2,3-butandione NIST Chemistry WebBook
2,3-Butanedione KEGG COMPOUND
2,3-Diketobutane ChemIDplus
2,3-Dioxobutane ChemIDplus
Biacetyl KEGG COMPOUND
Diacetyl KEGG COMPOUND
diacetyl UniProt
Dimethyl glyoxal ChemIDplus
Dimethylglyoxal KEGG COMPOUND
Manual Xrefs Databases
C00741 KEGG COMPOUND
HMDB0003407 HMDB
View more database links
Registry Numbers Types Sources
431-03-8 CAS Registry Number KEGG COMPOUND
431-03-8 CAS Registry Number NIST Chemistry WebBook
431-03-8 CAS Registry Number ChemIDplus
605398 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15654607 PubMed citation Europe PMC
24614328 PubMed citation Europe PMC
Last Modified
23 October 2015