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CHEBI:87504 - (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate

Default Structure
ChEBI IDCHEBI:87504
ChEBI Name(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate
Stars
ASCII Name(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-hydroxyhepta-2,4-diene-1,7-dioic 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\C=C(/O)C(=O)[O-]
InChIInChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-3,8H,4H2,(H,9,10)(H,11,12)/p-2/b2-1-,5-3-
InChIKeyZBCBETMBSDTINL-NWJCXACMSA-L
ChEBI Ontology
Outgoing Relation(s)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504) is a polyunsaturated dicarboxylic acid dianion (CHEBI:133492)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504) is conjugate base of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504) is tautomer of (4Z)-2-oxohept-4-enedioate (CHEBI:87507)
Incoming Relation(s)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is conjugate acid of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504)
(4Z)-2-oxohept-4-enedioate (CHEBI:87507) is tautomer of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504)
IUPAC Name 
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate
UniProt Name  Source
(2Z,4Z)-2-hydroxyhepta-2,4-diene-1,7-dioateUniProt
Registry NumbersSources
Reaxys:5866185Reaxys