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CHEBI:64927 - 2-oxohex-3-enedioic acid

Default Structure
ChEBI IDCHEBI:64927
ChEBI Name2-oxohex-3-enedioic acid
Stars
DefinitionThe oxo dicarboxylic acid that is hex-3-enedioic acid oxo-substituted at C-2; the stereochemistry of the C=C double bond is unspecified.
Last Modified18 June 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H6O5
Net Charge0
Average Mass158.109
Monoisotopic Mass158.02152
SMILES[H]C(=CC(=O)C(=O)O)CC(=O)O
InChIInChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)
InChIKeyQTHJXLFFFTVYJC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-oxohex-3-enedioic acid (CHEBI:64927) is a oxo dicarboxylic acid (CHEBI:36145)
2-oxohex-3-enedioic acid (CHEBI:64927) is conjugate acid of 2-oxohex-3-enedioate (CHEBI:64928)
Incoming Relation(s)
(3E)-2-oxohex-3-enedioic acid (CHEBI:64031) is a 2-oxohex-3-enedioic acid (CHEBI:64927)
(3Z)-2-oxohex-3-enedioic acid (CHEBI:64038) is a 2-oxohex-3-enedioic acid (CHEBI:64927)
2-oxohex-3-enedioate (CHEBI:64928) is conjugate base of 2-oxohex-3-enedioic acid (CHEBI:64927)
Synonyms  Source
4-oxalocrotonic acidChEBI
γ-oxalocrotonic acidChEBI
Registry NumbersSources
CAS:31540-68-8ChemIDplus