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CHEBI:27035 - trans,trans-muconate

ChEBI IDCHEBI:27035
ChEBI Nametrans,trans-muconate
Stars
ASCII Nametrans,trans-muconate
DefinitionA muconate that is the dianion obtained by the deprotonation of both the carboxy groups of trans,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-ZPUQHVIOSA-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)
trans,trans-muconate (CHEBI:27035) has role human xenobiotic metabolite (CHEBI:76967)
trans,trans-muconate (CHEBI:27035) is a dicarboxylic acid dianion (CHEBI:28965)
trans,trans-muconate (CHEBI:27035) is a muconate (CHEBI:36157)
trans,trans-muconate (CHEBI:27035) is conjugate base of (2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502)
Incoming Relation(s)
(2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502) is conjugate acid of trans,trans-muconate (CHEBI:27035)
IUPAC Name 
(2E,4E)-hexa-2,4-dienedioate
Synonyms  Source
(E,E)-muconateChEBI
trans,trans-Buta-1,3-diene-1,4-dicarboxylateChEBI
trans,trans-2,4-hexadienedioic acidChEBI
Registry NumbersSources
Reaxys:5330368Reaxys