CHEBI:34696 - dieldrin

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ChEBI Name dieldrin
ChEBI ID CHEBI:34696
Definition An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H8Cl6O
Net Charge 0
Average Mass 380.90752
Monoisotopic Mass 377.871
InChI InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-
InChIKey DFBKLUNHFCTMDC-PICURKEMSA-N
SMILES [H][C@]12[C@H]3C[C@H]([C@@H]4O[C@H]34)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
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 dieldrin (CHEBI:34696) has functional parent aldrin (CHEBI:2564)
dieldrin (CHEBI:34696) has role carcinogenic agent (CHEBI:50903)
dieldrin (CHEBI:34696) has role xenobiotic (CHEBI:35703)
dieldrin (CHEBI:34696) is a epoxide (CHEBI:32955)
dieldrin (CHEBI:34696) is a organochlorine compound (CHEBI:36683)
dieldrin (CHEBI:34696) is a organochlorine insecticide (CHEBI:25705)
IUPAC Name
rel-(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
Synonyms Sources
(1aα,2β,2aα,3β,6β,6aα,7β,7aα)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene ChEBI
(1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene ChemIDplus
1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-exo-5,8-dimethanonaphthalene NIST Chemistry WebBook
2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aα,2β,2aα,3β,6β,6aα,7β,7aα)- NIST Chemistry WebBook
Dieldrin
Note: (2013-11-18) Dieldrin is the ISO common name for material containing more than 85% of the pure compound; the pure compound has the ISO common name HEOD.
KEGG COMPOUND
HEOD ChEBI
Manual Xrefs Databases
226 PPDB
C13718 KEGG COMPOUND
dieldrin Alan Wood's Pesticides
Dieldrin Wikipedia
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Registry Numbers Types Sources
60-57-1 CAS Registry Number ChemIDplus
60-57-1 CAS Registry Number NIST Chemistry WebBook
91396 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17848404 PubMed citation Europe PMC
17999924 PubMed citation Europe PMC
18497062 PubMed citation Europe PMC
20602524 PubMed citation Europe PMC
21724225 PubMed citation Europe PMC
22281775 PubMed citation Europe PMC
23001942 PubMed citation Europe PMC
23726008 PubMed citation Europe PMC
23763672 PubMed citation Europe PMC
8597127 PubMed citation Europe PMC
Last Modified
26 July 2018