CHEBI:58142 - 4-carboxy-2-hydroxy-cis,cis-muconate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-carboxy-2-hydroxy-cis,cis-muconate(3−)
ChEBI ID CHEBI:58142
ChEBI ASCII Name 4-carboxy-2-hydroxy-cis,cis-muconate(3-)
Definition A tricarboxylic acid trianion resulting from deprotonation of the three carboxy groups of 4-carboxy-2-hydroxy-cis,cis-muconic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H3O7
Net Charge -3
Average Mass 199.09450
Monoisotopic Mass 198.98952
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)/p-3/b3-2+,4-1+
InChIKey QWLUKZXOQAQUFQ-DXLKSGPOSA-K
SMILES O\C(=C\C(=C/C([O-])=O)C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing 4-carboxy-2-hydroxy-cis,cis-muconate(3−) (CHEBI:58142) is a tricarboxylic acid trianion (CHEBI:27092)
4-carboxy-2-hydroxy-cis,cis-muconate(3−) (CHEBI:58142) is conjugate base of 4-carboxy-2-hydroxy-cis,cis-muconic acid (CHEBI:17424)
Incoming 4-carboxy-2-hydroxy-cis,cis-muconic acid (CHEBI:17424) is conjugate acid of 4-carboxy-2-hydroxy-cis,cis-muconate(3−) (CHEBI:58142)
IUPAC Name
(1E,3E)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylate
Synonyms Sources
4-carboxy-2-hydroxy-cis,cis-muconate UniProt
4-carboxy-2-hydroxy-cis,cis-muconate ChEBI
4-carboxy-2-hydroxy-cis,cis-muconate trianion ChEBI
Last Modified
11 April 2011