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CHEBI:27031 - cis,trans-muconate

ChEBI IDCHEBI:27031
ChEBI Namecis,trans-muconate
Stars
ASCII Namecis,trans-muconate
DefinitionA muconate that is the dianion obtained by the deprotonation of both the carboxy groups of cis,trans-muconic acid.
Last Modified16 September 2021
DownloadsMolfile
FormulaC6H4O4
Net Charge-2
Average Mass140.094
Monoisotopic Mass140.01206
SMILESO=C([O-])/C=C\C=C\C(=O)[O-]
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-2/b3-1-,4-2+
InChIKeyTXXHDPDFNKHHGW-HSFFGMMNSA-L
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
cis,trans-muconate (CHEBI:27031) has role human xenobiotic metabolite (CHEBI:76967)
cis,trans-muconate (CHEBI:27031) is a dicarboxylic acid dianion (CHEBI:28965)
cis,trans-muconate (CHEBI:27031) is a muconate (CHEBI:36157)
cis,trans-muconate (CHEBI:27031) is conjugate base of cis,trans-muconic acid (CHEBI:27671)
Incoming Relation(s)
cis,trans-muconic acid (CHEBI:27671) is conjugate acid of cis,trans-muconate (CHEBI:27031)
IUPAC Name 
(2Z,4E)-hexa-2,4-dienedioate
Synonyms  Source
trans,cis-muconateChEBI
(E,Z)-muconateChEBI
cis,trans-1,3-butadiene-1,4-dicarboxylateChEBI