CHEBI:36531 - (2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate
ChEBI ID CHEBI:36531
ChEBI ASCII Name (2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H2Cl3O4
Net Charge -1
Average Mass 244.43578
Monoisotopic Mass 242.90242
InChI InChI=1S/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/p-1/b3-1+,4-2-
InChIKey AHDWVTPNJCBFTN-TZFCGSKZSA-M
SMILES OC(=O)C(\Cl)=C/C(Cl)=C(/Cl)C([O-])=O
ChEBI Ontology
Outgoing (2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate (CHEBI:36531) is a 2,3,5-trichloro-cis,cis-muconate(1−) (CHEBI:38427)
(2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate (CHEBI:36531) is a dicarboxylic acid monoanion (CHEBI:35695)
(2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate (CHEBI:36531) is tautomer of (2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate (CHEBI:38426)
Incoming (2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate (CHEBI:38426) is tautomer of (2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate (CHEBI:36531)
IUPAC Name
(2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate
Last Modified
05 June 2007