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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_17642
http://purl.obolibrary.org/obo/CHEBI_17642
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_17642
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Preferred name
pentachlorophenol
Synonyms
pentachlorophenol
PENTACHLOROPHENOL
Pentachlorophenol
2,3,4,5,6-pentachlorophenol
PCP
Definitions
A chlorophenol that is phenol substituted by 5 chloro groups.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_23150
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http://purl.obolibrary.org/obo/CHEBI_38656
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http://purl.obolibrary.org/obo/CHEBI_83390
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http://purl.obolibrary.org/obo/CHEBI_87034
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rdfs:label
pentachlorophenol
skos:notation
CHEBI:17642
obo_purl:IAO_0000115
A chlorophenol that is phenol substituted by 5 chloro groups.
oboinowl_gen:hasExactSynonym
pentachlorophenol
PENTACHLOROPHENOL
Pentachlorophenol
oboinowl_gen:hasDbXref
Beilstein:1285380
CAS:87-86-5
Gmelin:102794
HMDB:HMDB0041974
KEGG:C02575
KNApSAcK:C00007496
LINCS:LSM-37108
MetaCyc:PENTACHLOROPHENOL
PDBeChem:PCI
PMID:17497895
PMID:23636589
PMID:24123209
PPDB:513
Reaxys:1285380
UM-BBD_compID:c0326
Wikipedia:Pentachlorophenol
oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:17642
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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oboinowl_gen:hasRelatedSynonym
2,3,4,5,6-pentachlorophenol
PCP
oboinowl_gen:hasAlternativeId
CHEBI:14745
CHEBI:25871
CHEBI:49821
CHEBI:7971
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76967
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obo_purl:charge
0
obo_purl:formula
C6HCl5O
obo_purl:inchi
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
obo_purl:inchikey
IZUPBVBPLAPZRR-UHFFFAOYSA-N
obo_purl:mass
266.33504
obo_purl:monoisotopicmass
263.84700
obo_purl:smiles
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_58217
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obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_47136
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RD
F
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N
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