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CHEBI:29000 - (2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate

ChEBI IDCHEBI:29000
ChEBI Name(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate
Stars
ASCII Name(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate
Secondary ChEBI IDsCHEBI:2225, CHEBI:20744
Last Modified25 November 2024
DownloadsMolfile
FormulaC14H8Cl5O4
Net Charge-1
Average Mass417.479
Monoisotopic Mass414.88707
SMILESO=C([O-])/C(O)=C(Cl)/C=C\C(=O)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H9Cl5O4/c15-8-3-1-7(2-4-8)11(14(17,18)19)10(20)6-5-9(16)12(21)13(22)23/h1-6,11,21H,(H,22,23)/p-1/b6-5-,12-9+
InChIKeyHXBWHTRCTIAYBX-ZCRLHDOISA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate (CHEBI:29000) has functional parent octa-2,4-dienoate (CHEBI:36061)
(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate (CHEBI:29000) has role mouse metabolite (CHEBI:75771)
(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate (CHEBI:29000) is a 6-oxo monocarboxylic acid anion (CHEBI:35976)
(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate (CHEBI:29000) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
IUPAC Name 
(2E,4Z)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxoocta-2,4-dienoate
Synonym  Source
6-oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4Z-dienoateChEBI
Manual XrefsDatabases
C06651KEGG COMPOUND