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CHEBI:64031 - (3E)-2-oxohex-3-enedioic acid

ChEBI IDCHEBI:64031
ChEBI Name(3E)-2-oxohex-3-enedioic acid
Stars
ASCII Name(3E)-2-oxohex-3-enedioic acid
Definition2-Oxohex-3-enedioic acid in which the C=C double bond has E configuration.
Last Modified18 June 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H6O5
Net Charge0
Average Mass158.109
Monoisotopic Mass158.02152
SMILESO=C(O)C/C=C/C(=O)C(=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)/b2-1+
InChIKeyQTHJXLFFFTVYJC-OWOJBTEDSA-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)
(3E)-2-oxohex-3-enedioic acid (CHEBI:64031) is a 2-oxohex-3-enedioic acid (CHEBI:64927)
(3E)-2-oxohex-3-enedioic acid (CHEBI:64031) is conjugate acid of (3E)-2-oxohex-3-enedioate (CHEBI:64908)
Incoming Relation(s)
(3E)-2-oxohex-3-enedioate (CHEBI:64908) is conjugate base of (3E)-2-oxohex-3-enedioic acid (CHEBI:64031)
Registry NumbersSources
Reaxys:6135549Reaxys
Citations