DDE (CHEBI:16598)

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ChEBI Name	DDE

ChEBI ID	CHEBI:16598

Definition	A chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Doug Howe

Secondary ChEBI IDs	CHEBI:474, CHEBI:195494, CHEBI:11130, CHEBI:18851

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Formula

C14H8Cl4

Net Charge

Average Mass

318.020

Monoisotopic Mass

315.93801

InChI

InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H

InChIKey

UCNVFOCBFJOQAL-UHFFFAOYSA-N

SMILES

ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1

Roles Classification
Chemical Role(s):	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(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	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	Sources
1,1'-(2,2-dichloroethene-1,1-diyl)bis(4-chlorobenzene)	IUPAC
1,1-bis-(4-chlorophenyl)-2,2-dichloroethene	ChEBI
1,1-dichloro-2,2-bis(4'-chlorophenyl)ethylene	ChEBI
1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethylene	KEGG COMPOUND
1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene	KEGG COMPOUND
1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene	UniProt
2,2'-bis(4-chlorophenyl)-1,1-dichloroethylene	SUBMITTER
4,4'-DDE	ChemIDplus
DDE	KEGG COMPOUND
p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene	ChemIDplus
p,p'-DDE	ChemIDplus

Manual Xrefs	Databases
6WS	PDBeChem
c0406	UM-BBD
C04596	KEGG COMPOUND
DICHLOROBIS-CPD	MetaCyc
Dichlorodiphenyldichloroethylene	Wikipedia
FDB097419	FooDB
HMDB0304759	HMDB
View more database links

Last Modified

04 August 2023