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CHEBI:47940 - 4,6-dioxohept-2-enedioic acid

Default Structure
ChEBI IDCHEBI:47940
ChEBI Name4,6-dioxohept-2-enedioic acid
Stars
DefinitionA heptenedioic acid that is hept-2-enedioic acid substituted by oxo groups at positions 4 and 6.
Last Modified2 February 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H6O6
Net Charge0
Average Mass186.119
Monoisotopic Mass186.01644
SMILES[H]C(C(=O)O)=C([H])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)
InChIKeyAZCFLHZUFANAOR-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)
4,6-dioxohept-2-enedioic acid (CHEBI:47940) is a heptenedioic acid (CHEBI:24522)
4,6-dioxohept-2-enedioic acid (CHEBI:47940) is a oxo dicarboxylic acid (CHEBI:36145)
4,6-dioxohept-2-enedioic acid (CHEBI:47940) is a β-diketone (CHEBI:67265)
4,6-dioxohept-2-enedioic acid (CHEBI:47940) is conjugate acid of 4,6-dioxohept-2-enedioate (CHEBI:47941)
Incoming Relation(s)
3-fumarylpyruvic acid (CHEBI:1506) is a 4,6-dioxohept-2-enedioic acid (CHEBI:47940)
3-maleylpyruvic acid (CHEBI:30859) is a 4,6-dioxohept-2-enedioic acid (CHEBI:47940)
4,6-dioxohept-2-enedioate (CHEBI:47941) is conjugate base of 4,6-dioxohept-2-enedioic acid (CHEBI:47940)
IUPAC Name 
4,6-dioxohept-2-enedioic acid