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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2E,4E)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate
ChEBI ID CHEBI:29000
ChEBI ASCII Name (2E,4E)-3,8,8,8-tetrachloro-7-(4-chlorophenyl)-2-hydroxy-6-oxo-octa-2,4-dienoate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20744, CHEBI:2225
Supplier Information
Download Molfile XML SDF
Formula C14H8Cl5O4
Net Charge -1
Average Mass 417.47600
Monoisotopic Mass 414.88707
InChI InChI=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+
InChIKey HXBWHTRCTIAYBX-ZCRLHDOISA-M
SMILES O\C(C([O-])=O)=C(Cl)/C=C\C(=O)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing (2E,4E)-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,4E)-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,4E)-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,4E)-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,4E-dienoate KEGG COMPOUND
Manual Xrefs Databases
c0421 UM-BBD
C06651 KEGG COMPOUND
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Last Modified
27 January 2016