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CHEBI:17642 - pentachlorophenol

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ChEBI Name pentachlorophenol
ChEBI ID CHEBI:17642
Definition A chlorophenol that is phenol substituted by 5 chloro groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49821, CHEBI:14745, CHEBI:25871, CHEBI:7971
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Formula C6HCl5O
Net Charge 0
Average Mass 266.33504
Monoisotopic Mass 263.847
InChI InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey IZUPBVBPLAPZRR-UHFFFAOYSA-N
SMILES Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fungicide
A substance used to destroy fungal pests.
(via aromatic fungicide )
Application(s): fungicide
A substance used to destroy fungal pests.
(via aromatic fungicide )
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pentachlorophenol (CHEBI:17642) has functional parent pentachlorobenzene (CHEBI:47136)
pentachlorophenol (CHEBI:17642) has role human xenobiotic metabolite (CHEBI:76967)
pentachlorophenol (CHEBI:17642) is a aromatic fungicide (CHEBI:87034)
pentachlorophenol (CHEBI:17642) is a chlorophenol (CHEBI:23150)
pentachlorophenol (CHEBI:17642) is a organochlorine pesticide (CHEBI:38656)
pentachlorophenol (CHEBI:17642) is a pentachlorobenzenes (CHEBI:83390)
pentachlorophenol (CHEBI:17642) is conjugate acid of pentachlorophenolate (CHEBI:58217)
Incoming pentachlorophenolate (CHEBI:58217) is conjugate base of pentachlorophenol (CHEBI:17642)
IUPAC Name
pentachlorophenol
Synonyms Sources
2,3,4,5,6-pentachlorophenol NIST Chemistry WebBook
PCP KEGG COMPOUND
Pentachlorophenol KEGG COMPOUND
PENTACHLOROPHENOL PDBeChem
Database Links Databases
C00007496 KNApSAcK
C02575 KEGG COMPOUND
c0326 UM-BBD
HMDB41974 HMDB
LSM-37108 LINCS
PCI PDBeChem
Pentachlorophenol Wikipedia
PENTACHLOROPHENOL MetaCyc
View more database links
Registry Numbers Types Sources
102794 Gmelin Registry Number Gmelin
1285380 Reaxys Registry Number Reaxys
1285380 Beilstein Registry Number ChemIDplus
87-86-5 CAS Registry Number KEGG COMPOUND
87-86-5 CAS Registry Number ChemIDplus
87-86-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
17497895 PubMed citation Europe PMC
23636589 PubMed citation Europe PMC
24123209 PubMed citation Europe PMC
Last Modified
26 February 2016