EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:38426 - (2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate

ChEBI IDCHEBI:38426
ChEBI Name(2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate
Stars
ASCII Name(2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate
Last Modified22 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H2Cl3O4
Net Charge-1
Average Mass244.437
Monoisotopic Mass242.90242
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)/p-1/b3-1+,4-2-
InChIKeyAHDWVTPNJCBFTN-TZFCGSKZSA-M
ChEBI Ontology
Outgoing Relation(s)
(2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate (CHEBI:38426) is a 2,3,5-trichloro-cis,cis-muconate(1−) (CHEBI:38427)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate