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CHEBI:78627 - 2-oxohept-4-ene-1,7-dioate

ChEBI IDCHEBI:78627
ChEBI Name2-oxohept-4-ene-1,7-dioate
Stars
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-oxohept-4-ene-1,7-dioic acid; major species at pH 7.3.
Last Modified16 September 2021
SubmitterAnne Morgat
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-OWOJBTEDSA-L
ChEBI Ontology
Outgoing Relation(s)
2-oxohept-4-ene-1,7-dioate (CHEBI:78627) is a dicarboxylic acid dianion (CHEBI:28965)
2-oxohept-4-ene-1,7-dioate (CHEBI:78627) is conjugate base of 2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686)
2-oxohept-4-ene-1,7-dioate (CHEBI:78627) is tautomer of 2-hydroxyhepta-2,4-dienedioate (CHEBI:78626)
Incoming Relation(s)
2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686) is conjugate acid of 2-oxohept-4-ene-1,7-dioate (CHEBI:78627)
2-hydroxyhepta-2,4-dienedioate (CHEBI:78626) is tautomer of 2-oxohept-4-ene-1,7-dioate (CHEBI:78627)
IUPAC Name 
(3E)-6-oxohept-3-enedioate
Synonyms  Source
2-ketohepta-4-ene-1,7,dioateSUBMITTER
KHEDSUBMITTER
UniProt Name  Source
2-oxo-hept-4-ene-1,7-dioateUniProt