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CHEBI:38407 - muconic acid

ChEBI IDCHEBI:38407
ChEBI Namemuconic acid
Stars
DefinitionA hexadienedioic acid with unsaturation at positions 2 and 4.
Secondary ChEBI IDsCHEBI:25424, CHEBI:36156
Last Modified24 February 2022
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H6O4
Net Charge0
Average Mass142.110
Monoisotopic Mass142.02661
SMILES[H]C(=CC=C([H])C(=O)O)C(=O)O
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)
InChIKeyTXXHDPDFNKHHGW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
muconic acid (CHEBI:38407) has role human xenobiotic metabolite (CHEBI:76967)
muconic acid (CHEBI:38407) is a dicarboxylic fatty acid (CHEBI:189840)
muconic acid (CHEBI:38407) is a hexadienedioic acid (CHEBI:24553)
muconic acid (CHEBI:38407) is conjugate acid of 5-carboxypenta-2,4-dienoate (CHEBI:36504)
Incoming Relation(s)
(2E,4Z)-2-hydroxymuconic acid (CHEBI:64037) has functional parent muconic acid (CHEBI:38407)
(2Z,4E)-2-hydroxymuconic acid (CHEBI:53146) has functional parent muconic acid (CHEBI:38407)
2-aminomuconic acid (CHEBI:16886) has functional parent muconic acid (CHEBI:38407)
3-carboxymethylmuconic acid (CHEBI:28251) has functional parent muconic acid (CHEBI:38407)
3-sulfomuconic acid (CHEBI:27942) has functional parent muconic acid (CHEBI:38407)
5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one (CHEBI:17881) has functional parent muconic acid (CHEBI:38407)
chloromuconic acid (CHEBI:38408) has functional parent muconic acid (CHEBI:38407)
cis,cis-muconic acid (CHEBI:16508) is a muconic acid (CHEBI:38407)
cis,trans-muconic acid (CHEBI:27671) is a muconic acid (CHEBI:38407)
trans,trans-muconic acid (CHEBI:27036) is a muconic acid (CHEBI:38407)
5-carboxypenta-2,4-dienoate (CHEBI:36504) is conjugate base of muconic acid (CHEBI:38407)
IUPAC Name 
hexa-2,4-dienedioic acid
Synonyms  Source
2,4-hexadienedioic acidChEBI
butadiene-1,4-dicarboxylic acidChEBI
1,3-butadiene-1,4-dicarboxylic acidChemIDplus
Registry NumbersSources
Beilstein:1756239Beilstein
Beilstein:1722248Beilstein
CAS:505-70-4ChemIDplus
Citations