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CHEBI:16321 - 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid

Default Structure
ChEBI IDCHEBI:16321
ChEBI Name4-carboxy-2-hydroxyhexa-2,4-dienedioic acid
Stars
DefinitionA tricarboxylic acid that is buta-1,3-diene-1,2,4-tricarboxylic acid substituted by a hydroxy group at position 4.
Secondary ChEBI IDsCHEBI:1792, CHEBI:11967, CHEBI:20324
Last Modified15 May 2024
DownloadsMolfile
FormulaC7H6O7
Net Charge0
Average Mass202.118
Monoisotopic Mass202.01135
SMILESO=C(O)/C=C(/C=C(\O)C(=O)O)C(=O)O
InChIInChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2-,4-1-
InChIKeyQWLUKZXOQAQUFQ-QEFWFIIXSA-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-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:16321) is a enol (CHEBI:33823)
4-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:16321) is a hydroxy carboxylic acid (CHEBI:24669)
4-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:16321) is a tricarboxylic acid (CHEBI:27093)
4-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:16321) is conjugate acid of 4-carboxylato-2-hydroxyhexa-2,4-dienedioate(3−) (CHEBI:57732)
Incoming Relation(s)
(2Z,4E)-4-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:61493) is a 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:16321)
4-carboxy-2-hydroxy-cis,cis-muconic acid (CHEBI:17424) is a 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:16321)
4-carboxylato-2-hydroxyhexa-2,4-dienedioate(3−) (CHEBI:57732) is conjugate base of 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid (CHEBI:16321)
IUPAC Name 
4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
Citations