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CHEBI:87507 - (4Z)-2-oxohept-4-enedioate

ChEBI IDCHEBI:87507
ChEBI Name(4Z)-2-oxohept-4-enedioate
Stars
ASCII Name(4Z)-2-oxohept-4-enedioate
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (4Z)-2-oxohept-4-enedioic acid; major species at pH 7.3.
Last Modified16 September 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H6O5
Net Charge-2
Average Mass170.120
Monoisotopic Mass170.02262
SMILESO=C([O-])C/C=C\CC(=O)C(=O)[O-]
InChIInChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,9,10)(H,11,12)/p-2/b2-1-
InChIKeyICGKEQXHPZUYSF-UPHRSURJSA-L
ChEBI Ontology
Outgoing Relation(s)
(4Z)-2-oxohept-4-enedioate (CHEBI:87507) is a dicarboxylic acid dianion (CHEBI:28965)
(4Z)-2-oxohept-4-enedioate (CHEBI:87507) is conjugate base of (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772)
(4Z)-2-oxohept-4-enedioate (CHEBI:87507) is tautomer of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504)
Incoming Relation(s)
(4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is conjugate acid of (4Z)-2-oxohept-4-enedioate (CHEBI:87507)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504) is tautomer of (4Z)-2-oxohept-4-enedioate (CHEBI:87507)
IUPAC Name 
(3Z)-6-oxohept-3-enedioate
UniProt Name  Source
(4Z)-2-oxohept-4-enedioateUniProt
Registry NumbersSources
Reaxys:5866162Reaxys