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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid
ChEBI ID CHEBI:16321
Definition A tricarboxylic acid that is buta-1,3-diene-1,2,4-tricarboxylic acid substituted by a hydroxy group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1792, CHEBI:11967, CHEBI:20324
Supplier Information ZINC000095627837
Download Molfile XML SDF
Formula C7H6O7
Net Charge 0
Average Mass 202.11834
Monoisotopic Mass 202.01135
InChI InChI=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-
InChIKey QWLUKZXOQAQUFQ-QEFWFIIXSA-N
SMILES OC(=O)\C=C(\C=C(/O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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
Citation Waiting for Citations Type Source
32586023 PubMed citation Europe PMC
Last Modified
15 May 2024