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CHEBI:28251 - 3-carboxymethylmuconic acid

ChEBI IDCHEBI:28251
ChEBI Name3-carboxymethylmuconic acid
Stars
DefinitionMuconic acid (stereochemistry of C=C bonds unspecified) substituted at the 3-position by a carboxymethyl group.
Secondary ChEBI IDsCHEBI:1469, CHEBI:19977
Last Modified3 August 2014
DownloadsMolfile
FormulaC8H8O6
Net Charge0
Average Mass200.146
Monoisotopic Mass200.03209
SMILES[H]C(=CC(CC(=O)O)=C([H])C(=O)O)C(=O)O
InChIInChI=1S/C8H8O6/c9-6(10)2-1-5(3-7(11)12)4-8(13)14/h1-3H,4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKeyYISIGATXJQLDCC-UHFFFAOYSA-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)
3-carboxymethylmuconic acid (CHEBI:28251) has functional parent muconic acid (CHEBI:38407)
3-carboxymethylmuconic acid (CHEBI:28251) is a tricarboxylic acid (CHEBI:27093)
IUPAC Name 
3-(carboxymethyl)hexa-2,4-dienedioic acid
Synonym  Source
3-CarboxymethylmuconateKEGG COMPOUND
Manual XrefsDatabases
C05592KEGG COMPOUND