CHEBI:27841 - DDD

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ChEBI Name DDD
ChEBI ID CHEBI:27841
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18850, CHEBI:473
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Formula C14H10Cl4
Net Charge 0
Average Mass 320.04000
Monoisotopic Mass 317.954
InChI InChI=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
InChIKey AHJKRLASYNVKDZ-UHFFFAOYSA-N
SMILES ClC(Cl)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Roles Classification
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
Application(s): 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.
(via organochlorine insecticide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organochlorine pesticide )
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ChEBI Ontology
Outgoing 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 Sources
1,1'-(2,2-dichloroethylidene)bis[4-chlorobenzene] UM-BBD
1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane KEGG COMPOUND
1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane KEGG COMPOUND
1,1-dichloro-2,2-bis(p-chlorophenyl)ethane NIST Chemistry WebBook
DDD KEGG COMPOUND
Dichlorodiphenyldichloroethane KEGG COMPOUND
Dilene ChemIDplus
p,p'-DDD NIST Chemistry WebBook
p,p'-TDE NIST Chemistry WebBook
Rhothane ChemIDplus
TDE ChemIDplus
tetrachlorodiphenylethane NIST Chemistry WebBook
Database Links Databases
c0505 UM-BBD
C06636 KEGG COMPOUND
Dichlorodiphenyldichloroethane Wikipedia
View more database links
Registry Numbers Types Sources
1914072 Reaxys Registry Number Reaxys
1914072 Beilstein Registry Number ChemIDplus
509095 Gmelin Registry Number Gmelin
72-54-8 CAS Registry Number KEGG COMPOUND
72-54-8 CAS Registry Number NIST Chemistry WebBook
72-54-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19487035 PubMed citation Europe PMC
21007656 PubMed citation Europe PMC
9496653 PubMed citation Europe PMC
Last Modified
16 July 2015