CHEBI:46745 - 2,3-dihydroxy-DDT

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-dihydroxy-DDT
ChEBI ID CHEBI:46745
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:880, CHEBI:19314
Supplier Information
Download Molfile XML SDF
Formula C14H9Cl5O2
Net Charge 0
Average Mass 386.48356
Monoisotopic Mass 383.90452
InChI InChI=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
InChIKey WCDSWTZUKCXFRE-UHFFFAOYSA-N
SMILES Oc1c(Cl)ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c1O
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane KEGG COMPOUND
2,3-Dihydroxy DDT KEGG COMPOUND
Manual Xrefs Databases
c0420 UM-BBD
C06650 KEGG COMPOUND
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Last Modified
27 January 2016