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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:DDE
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Accession:CHEBI:16598 term browser browse the term
Definition:A chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2.
Synonyms:exact_synonym: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
 related_synonym: 1,1'-(2,2-dichloroethene-1,1-diyl)bis(4-chlorobenzene);   1,1-bis-(4-chlorophenyl)-2,2-dichloroethene;   1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene;   2,2'-bis(4-chlorophenyl)-1,1-dichloroethylene;   4,4'-DDE;   Formula=C14H8Cl4;   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;   p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene;   p,p'-DDE
 alt_id: CHEBI:11130;   CHEBI:18851;   CHEBI:195494;   CHEBI:474
 xref: CAS:72-55-9;   FooDB:FDB097419;   HMDB:HMDB0304759;   KEGG:C04596
 xref_mesh: MESH:D003633
 xref: MetaCyc:DICHLOROBIS-CPD;   PDBeChem:6WS;   PMCID:PMC7208238;   PMID:11513126;   PMID:15070871;   PMID:15710169;   PMID:20368122;   PMID:22142728;   PMID:23415487;   PMID:24328540;   PMID:28042045;   PMID:31792309;   PMID:32393266;   PMID:33287856;   PMID:33756427;   PMID:35623197;   PMID:37236336;   Reaxys:1913355;   UM-BBD_compID:c0406;   Wikipedia:Dichlorodiphenyldichloroethylene


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      CHEBI ontology 19880
        role 19850
          chemical role 19479
            environmental contaminant 18858
              persistent organic pollutant 16771
                DDE 2298
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      CHEBI ontology 19880
        subatomic particle 19878
          composite particle 19878
            hadron 19878
              baryon 19878
                nucleon 19878
                  atomic nucleus 19878
                    atom 19878
                      main group element atom 19817
                        p-block element atom 19817
                          carbon group element atom 19757
                            carbon atom 19754
                              organic molecular entity 19754
                                organic molecule 19706
                                  organic cyclic compound 19495
                                    carbocyclic compound 18584
                                      benzenoid aromatic compound 18008
                                        benzenes 17873
                                          chlorobenzenes 15046
                                            monochlorobenzenes 12145
                                              DDE 2298
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