KEGG   COMPOUND: C07101Help
Entry
C07101                      Compound                               

Name
2,4,5-Trichlorophenol
Formula
C6H3Cl3O
Exact mass
195.9249
Mol weight
197.4464
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.-       1.14.14.-
Other DBs
CAS: 95-95-4
PubChem: 9312
ChEBI: 28520
ChEMBL: CHEMBL109095
PDB-CCD: TC7[PDBj]
3DMET: B01068
NIKKAJI: J3.574B
LinkDB All DBs
KCF data Show

ATOM        10
            1   C8y C    31.6400  -16.0332
            2   C8y C    32.8505  -16.7259
            3   C8x C    30.4236  -16.7259
            4   O1a O    31.6457  -14.6306
            5   C8x C    32.8505  -18.1284
            6   X   Cl   34.0611  -16.0332
            7   C8y C    30.4236  -18.1284
            8   C8y C    31.6400  -18.8326
            9   X   Cl   29.2131  -18.8326
            10  X   Cl   31.6457  -20.2294
BOND        10
            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     5   8 2
            8     7   9 1
            9     8  10 1
            10    7   8 1

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