KEGG   COMPOUND: C07490Help
Entry
C07490                      Compound                               

Name
Trichloroethanol;
2,2,2-Trichloroethanol
Formula
C2H3Cl3O
Exact mass
147.9249
Mol weight
149.4036
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00625  Chloroalkane and chloroalkene degradation
map00980  Metabolism of xenobiotics by cytochrome P450
map01120  Microbial metabolism in diverse environments
map05204  Chemical carcinogenesis
map07032  Hypnotics
Enzyme
1.1.1.1         1.1.-.-         1.14.13.25      1.14.13.-       
2.4.1.17
Other DBs
CAS: 115-20-8
PubChem: 9693
ChEBI: 28094
ChEMBL: CHEMBL1171
PDB-CCD: 8FH[PDBj]
NIKKAJI: J2.895I
LinkDB All DBs
KCF data Show

ATOM        6
            1   C1d C    28.2277  -16.9168
            2   C1b C    29.4405  -17.6165
            3   X   Cl   27.0148  -17.6165
            4   X   Cl   28.2277  -15.5174
            5   X   Cl   28.2218  -18.3220
            6   O1a O    30.6474  -16.9168
BOND        5
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1

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