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

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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

Download	Molfile XML SDF

Formula

C7H6O7

Net Charge

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 )

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

Synonym	Source
4-Carboxy-2-hydroxyhexa-2,4-dienedioate	KEGG COMPOUND

Last Modified

31 January 2019