CHEBI:27841 - DDD

ChEBI IDCHEBI:27841
ChEBI NameDDD
Stars
DefinitionA chlorophenylethane that is 2,2-bis(p-chlorophenyl)ethane substituted by two chloro groups at position 1. It is a metabolite of the organochlorine insecticide, DDT.
Secondary ChEBI IDsCHEBI:473, CHEBI:18850
Last Modified16 July 2015
DownloadsMolfile
FormulaC14H10Cl4
Net Charge0
Average Mass320.046
Monoisotopic Mass317.95366
SMILESClc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
InChIKeyAHJKRLASYNVKDZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
Applications:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
DDD (CHEBI:27841) has role xenobiotic metabolite (CHEBI:76206)
DDD (CHEBI:27841) is a chlorophenylethane (CHEBI:23154)
DDD (CHEBI:27841) is a monochlorobenzenes (CHEBI:83403)
DDD (CHEBI:27841) is a organochlorine insecticide (CHEBI:25705)
IUPAC Name 
1,1'-(2,2-dichloroethane-1,1-diyl)bis(4-chlorobenzene)
Synonyms  Source
1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethaneKEGG COMPOUND
DDDKEGG COMPOUND
DichlorodiphenyldichloroethaneKEGG COMPOUND
1,1'-(2,2-dichloroethylidene)bis[4-chlorobenzene]UM-BBD
RhothaneChemIDplus
TDEChemIDplus
Manual XrefsDatabases
C06636KEGG COMPOUND
c0505UM-BBD
DichlorodiphenyldichloroethaneWikipedia
755PPDB
Registry NumbersSources
Gmelin:509095Gmelin
Reaxys:1914072Reaxys
CAS:72-54-8KEGG COMPOUND
CAS:72-54-8ChemIDplus
CAS:72-54-8NIST Chemistry WebBook
Citations