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CHEBI:46745 - 2,3-dihydroxy-DDT

ChEBI IDCHEBI:46745
ChEBI Name2,3-dihydroxy-DDT
Stars
Secondary ChEBI IDsCHEBI:880, CHEBI:19314
Last Modified27 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H9Cl5O2
Net Charge0
Average Mass386.489
Monoisotopic Mass383.90452
SMILESOc1c(Cl)ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c1O
InChIInChI=1S/C14H9Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11,20-21H
InChIKeyWCDSWTZUKCXFRE-UHFFFAOYSA-N
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)
2,3-dihydroxy-DDT (CHEBI:46745) has functional parent DDT (CHEBI:16130)
2,3-dihydroxy-DDT (CHEBI:46745) has role mouse metabolite (CHEBI:75771)
2,3-dihydroxy-DDT (CHEBI:46745) is a chlorocatechol (CHEBI:23138)
2,3-dihydroxy-DDT (CHEBI:46745) is a monochlorobenzenes (CHEBI:83403)
Incoming Relation(s)
DDT-2,3-dihydrodiol (CHEBI:46744) has functional parent 2,3-dihydroxy-DDT (CHEBI:46745)
IUPAC Name 
3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene-1,2-diol
Synonyms  Source
2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethaneKEGG COMPOUND
2,3-Dihydroxy DDTKEGG COMPOUND
Manual XrefsDatabases
C06650KEGG COMPOUND
c0420UM-BBD