CHEBI:16598 - DDE

ChEBI IDCHEBI:16598
ChEBI NameDDE
Stars
DefinitionA chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2.
Secondary ChEBI IDsCHEBI:474, CHEBI:11130, CHEBI:18851, CHEBI:195494
Last Modified4 August 2023
Submitterdoughowe
DownloadsMolfile
FormulaC14H8Cl4
Net Charge0
Average Mass318.030
Monoisotopic Mass315.93801
SMILESClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
InChIKeyUCNVFOCBFJOQAL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
persistent organic pollutant  Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
DDE (CHEBI:16598) has role human xenobiotic metabolite (CHEBI:76967)
DDE (CHEBI:16598) has role persistent organic pollutant (CHEBI:77853)
DDE (CHEBI:16598) is a chlorophenylethylene (CHEBI:23155)
DDE (CHEBI:16598) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
Synonyms  Source
1,1-Dichloro-2,2-bis(4-chlorophenyl)ethyleneKEGG COMPOUND
1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethyleneKEGG COMPOUND
DDEKEGG COMPOUND
1,1-dichloro-2,2-bis(4'-chlorophenyl)ethyleneChEBI
4,4'-DDEChemIDplus
p,p'-DDEChemIDplus
UniProt Name  Source
1,1-dichloro-2,2-bis(4-chlorophenyl)ethyleneUniProt
Manual XrefsDatabases
C04596KEGG COMPOUND
c0406UM-BBD
DichlorodiphenyldichloroethyleneWikipedia
FDB097419FooDB
HMDB0304759HMDB
DICHLOROBIS-CPDMetaCyc
6WSPDBeChem
Registry NumbersSources
Reaxys:1913355Reaxys
CAS:72-55-9KEGG COMPOUND
CAS:72-55-9ChemIDplus
CAS:72-55-9NIST Chemistry WebBook
Citations