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CHEBI:16508 - cis,cis-muconic acid

ChEBI IDCHEBI:16508
ChEBI Namecis,cis-muconic acid
Stars
ASCII Namecis,cis-muconic acid
DefinitionThe cis,cis-isomer of muconic acid. It is produced during the degradation of chlorobenzene by bacteria like Bacillus.
Secondary ChEBI IDsCHEBI:10451, CHEBI:23260, CHEBI:29038, CHEBI:41387
Last Modified28 July 2014
DownloadsMolfile
FormulaC6H6O4
Net Charge0
Average Mass142.110
Monoisotopic Mass142.02661
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)/b3-1-,4-2-
InChIKeyTXXHDPDFNKHHGW-CCAGOZQPSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
cis,cis-muconic acid (CHEBI:16508) has role bacterial xenobiotic metabolite (CHEBI:76976)
cis,cis-muconic acid (CHEBI:16508) is a muconic acid (CHEBI:38407)
cis,cis-muconic acid (CHEBI:16508) is conjugate acid of (2Z,4Z)-5-carboxypenta-2,4-dienoate (CHEBI:36501)
Incoming Relation(s)
2-chloro-cis,cis-muconic acid (CHEBI:27895) has functional parent cis,cis-muconic acid (CHEBI:16508)
2-hydroxy-5-methyl-cis,cis-muconic acid (CHEBI:28249) has functional parent cis,cis-muconic acid (CHEBI:16508)
2,3,5-trichloro-cis,cis-muconic acid (CHEBI:31069) has functional parent cis,cis-muconic acid (CHEBI:16508)
2,4-dichloro-cis,cis-muconic acid (CHEBI:17365) has functional parent cis,cis-muconic acid (CHEBI:16508)
2,5-dichloro-cis,cis-muconic acid (CHEBI:28558) has functional parent cis,cis-muconic acid (CHEBI:16508)
3-chloro-cis,cis-muconic acid (CHEBI:1472) has functional parent cis,cis-muconic acid (CHEBI:16508)
3-hydroxy-cis,cis-muconic acid (CHEBI:17419) has functional parent cis,cis-muconic acid (CHEBI:16508)
3-methyl-cis,cis-muconic acid (CHEBI:28958) has functional parent cis,cis-muconic acid (CHEBI:16508)
tetrachloro-cis,cis-muconic acid (CHEBI:26887) has functional parent cis,cis-muconic acid (CHEBI:16508)
(2Z,4Z)-5-carboxypenta-2,4-dienoate (CHEBI:36501) is conjugate base of cis,cis-muconic acid (CHEBI:16508)
IUPAC Name 
(2Z,4Z)-hexa-2,4-dienedioic acid
Synonyms  Source
(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACIDPDBeChem
cis,cis-2,4-Hexadienedioic acidKEGG COMPOUND
(Z,Z)-2,4-hexadienedioic acidChemIDplus
Manual XrefsDatabases
C00007490KNApSAcK
C02480KEGG COMPOUND
CCUPDBeChem
Registry NumbersSources
Beilstein:1722246Beilstein
CAS:1119-72-8ChemIDplus
Citations