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CHEBI:17642 - pentachlorophenol
| Formula | C6HCl5O |
| Net Charge | 0 |
| Average Mass | 266.338 |
| Monoisotopic Mass | 263.84700 |
| SMILES | Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl |
| InChI | InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| InChIKey | IZUPBVBPLAPZRR-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. fungicide A substance used to destroy fungal pests. |
| Applications: | pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. fungicide A substance used to destroy fungal pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| pentachlorophenolate (CHEBI:58217) is conjugate base of pentachlorophenol (CHEBI:17642) |
| IUPAC Name |
|---|
| pentachlorophenol |
| Synonyms | Source |
|---|---|
| 2,3,4,5,6-pentachlorophenol | NIST Chemistry WebBook |
| PCP | KEGG COMPOUND |
| Pentachlorophenol | KEGG COMPOUND |
| PENTACHLOROPHENOL | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 513 | PPDB |
| C00007496 | KNApSAcK |
| C02575 | KEGG COMPOUND |
| c0326 | UM-BBD |
| HMDB0041974 | HMDB |
| LSM-37108 | LINCS |
| PCI | PDBeChem |
| Pentachlorophenol | Wikipedia |
| PENTACHLOROPHENOL | MetaCyc |
| Citations |
|---|