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CHEBI:31069 - 2,3,5-trichloro-cis,cis-muconic acid

ChEBI IDCHEBI:31069
ChEBI Name2,3,5-trichloro-cis,cis-muconic acid
Stars
ASCII Name2,3,5-trichloro-cis,cis-muconic acid
Last Modified22 August 2024
DownloadsMolfile
FormulaC6H3Cl3O4
Net Charge0
Average Mass245.445
Monoisotopic Mass243.90969
SMILESO=C(O)/C(Cl)=C(Cl)\C=C(\Cl)C(=O)O
InChIInChI=1S/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/b3-1+,4-2-
InChIKeyAHDWVTPNJCBFTN-TZFCGSKZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,3,5-trichloro-cis,cis-muconic acid (CHEBI:31069) has functional parent cis,cis-muconic acid (CHEBI:16508)
2,3,5-trichloro-cis,cis-muconic acid (CHEBI:31069) is a trichloromuconic acid (CHEBI:38448)
2,3,5-trichloro-cis,cis-muconic acid (CHEBI:31069) is conjugate acid of 2,3,5-trichloro-cis,cis-muconate(1−) (CHEBI:38427)
Incoming Relation(s)
2,3,5-trichloro-cis,cis-muconate(1−) (CHEBI:38427) is conjugate base of 2,3,5-trichloro-cis,cis-muconic acid (CHEBI:31069)
IUPAC Name 
(2Z,4E)-2,3,5-trichlorohexa-2,4-dienedioic acid
Manual XrefsDatabases
C12833KEGG COMPOUND