CHEBI:81501 - 1,2,3,7,8-Pentachlorodibenzodioxin

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ChEBI Name 1,2,3,7,8-Pentachlorodibenzodioxin
ChEBI ID CHEBI:81501
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H3Cl5O2
Net Charge 0
Average Mass 356.41600
Monoisotopic Mass 353.85757
InChI InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H
InChIKey FSPZPQQWDODWAU-UHFFFAOYSA-N
SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(Cl)c3Oc2cc1Cl
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.
(via polychlorinated dibenzodioxine )
(via polychlorinated dibenzodioxines and related compounds )
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.
(via dibenzodioxine )
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ChEBI Ontology
Outgoing 1,2,3,7,8-Pentachlorodibenzodioxin (CHEBI:81501) is a polychlorinated dibenzodioxine (CHEBI:36682)
Synonyms Sources
1,2,3,7,8-PeCDD KEGG COMPOUND
1,2,3,7,8-Pentachlorodibenzo-p-dioxin KEGG COMPOUND
PCDD 54 KEGG COMPOUND
Manual Xref Database
C18099 KEGG COMPOUND
View more database links
Registry Number Type Source
40321-76-4 CAS Registry Number KEGG COMPOUND
Last Modified
27 November 2016