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CHEBI:32379 - cis,cis-muconate

ChEBI IDCHEBI:32379
ChEBI Namecis,cis-muconate
Stars
ASCII Namecis,cis-muconate
DefinitionA muconate that is the conjugate base of (2Z,4Z)-5-carboxypenta-2,4-dienoate.
Secondary ChEBI IDsCHEBI:12785, CHEBI:12802, CHEBI:23258, CHEBI:23259
Last Modified5 July 2016
SubmitterMarcus Ennis
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-CCAGOZQPSA-L
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
cis,cis-muconate (CHEBI:32379) has role bacterial xenobiotic metabolite (CHEBI:76976)
cis,cis-muconate (CHEBI:32379) is a muconate (CHEBI:36157)
cis,cis-muconate (CHEBI:32379) is conjugate base of (2Z,4Z)-5-carboxypenta-2,4-dienoate (CHEBI:36501)
Incoming Relation(s)
2-chloro-cis,cis-muconate(2−) (CHEBI:19504) has functional parent cis,cis-muconate (CHEBI:32379)
2-methyl-cis,cis-muconate (CHEBI:231624) has functional parent cis,cis-muconate (CHEBI:32379)
2,3,5-trichloro-cis,cis-muconate(2−) (CHEBI:19298) has functional parent cis,cis-muconate (CHEBI:32379)
2,4-dichloro-cis,cis-muconate(2−) (CHEBI:11438) has functional parent cis,cis-muconate (CHEBI:32379)
2,5-dichloro-cis,cis-muconate(2−) (CHEBI:19375) has functional parent cis,cis-muconate (CHEBI:32379)
3-chloro-cis,cis-muconate(2−) (CHEBI:17589) has functional parent cis,cis-muconate (CHEBI:32379)
3-methyl-cis,cis-muconate (CHEBI:231634) has functional parent cis,cis-muconate (CHEBI:32379)
4-chloro-2-methyl-cis,cis-muconate (CHEBI:231610) has functional parent cis,cis-muconate (CHEBI:32379)
(2Z,4Z)-5-carboxypenta-2,4-dienoate (CHEBI:36501) is conjugate acid of cis,cis-muconate (CHEBI:32379)
IUPAC Name 
(2Z,4Z)-hexa-2,4-dienedioate
UniProt Name  Source
cis,cis-muconateUniProt
Manual XrefsDatabases
c0586UM-BBD
Registry NumbersSources
Reaxys:6476541Reaxys