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CHEBI:1506 - 3-fumarylpyruvic acid

ChEBI IDCHEBI:1506
ChEBI Name3-fumarylpyruvic acid
Stars
DefinitionA 4,6-dioxohept-2-enedioic acid that is pyruvic acid substituted at position 3 by a fumaryl group.
Last Modified2 February 2015
DownloadsMolfile
FormulaC7H6O6
Net Charge0
Average Mass186.119
Monoisotopic Mass186.01644
SMILESO=C(O)/C=C/C(=O)CC(=O)C(=O)O
InChIInChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1+
InChIKeyAZCFLHZUFANAOR-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)
3-fumarylpyruvic acid (CHEBI:1506) has functional parent pyruvic acid (CHEBI:32816)
3-fumarylpyruvic acid (CHEBI:1506) is a 4,6-dioxohept-2-enedioic acid (CHEBI:47940)
3-fumarylpyruvic acid (CHEBI:1506) is a β-diketone (CHEBI:67265)
3-fumarylpyruvic acid (CHEBI:1506) is conjugate acid of 3-fumarylpyruvate(2−) (CHEBI:16854)
Incoming Relation(s)
3-fumarylpyruvate(2−) (CHEBI:16854) is conjugate base of 3-fumarylpyruvic acid (CHEBI:1506)
IUPAC Name 
(2E)-4,6-dioxohept-2-enedioic acid
Manual XrefsDatabases
C02514KEGG COMPOUND
Registry NumbersSources
Reaxys:1725757Reaxys