KEGG   COMPOUND: C02575
Entry
C02575                      Compound                               

Name
Pentachlorophenol;
PCP
Formula
C6HCl5O
Exact mass
263.847
Mol weight
266.3365
Structure
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map05208  Chemical carcinogenesis - reactive oxygen species
Enzyme
Brite
Endocrine disrupting compounds [BR:br08006]
 Pesticides and herbicides
  Others
   C02575  Pentachlorophenol
Pesticides [BR:br08007]
 Pesticides
  Insecticides
   Organochlorine insecticides
    C02575  Pentachlorophenol
Other DBs
CAS: 87-86-5
PubChem: 5570
ChEBI: 17642
ChEMBL: CHEMBL75967
KNApSAcK: C00007496
PDB-CCD: PCI[PDBj]
3DMET: B00462
NIKKAJI: J3.904G
LinkDB
KCF data

ATOM        12
            1   C8y C    25.0277  -15.5767
            2   C8y C    26.2340  -16.3075
            3   C8y C    23.7955  -16.2618
            4   O1a O    25.0545  -14.1836
            5   C8y C    26.2782  -17.7235
            6   X   Cl   27.4540  -15.6300
            7   C8y C    23.7686  -17.6548
            8   X   Cl   22.6056  -15.5409
            9   C8y C    24.9749  -18.3856
            10  X   Cl   27.3979  -18.4443
            11  X   Cl   22.5463  -18.3235
            12  X   Cl   25.0091  -19.7808
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     5   9 2
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12    7   9 1

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