KEGG   COMPOUND: C11150Help
Entry
C11150                      Compound                               

Name
Trichloroacetate;
Trichloroacetic acid;
TCA
Formula
C2HCl3O2
Exact mass
161.9042
Mol weight
163.3871
Structure
Mol fileKCF fileDB search
Remark
Same as: D08633
Reaction
Pathway
map00625  Chloroalkane and chloroalkene degradation
map00980  Metabolism of xenobiotics by cytochrome P450
map01120  Microbial metabolism in diverse environments
map05204  Chemical carcinogenesis
Enzyme
1.1.-.-         1.2.1.5         1.14.13.-       3.8.1.-
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Others
    C11150  TCA
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C11150  Trichloroacetate
BRITE hierarchy
Other DBs
CAS: 76-03-9
PubChem: 13332
ChEBI: 30956
ChEMBL: CHEMBL14053
NIKKAJI: J2.400G
KCF data Show

ATOM        7
            1   C1d C    28.5064  -16.9642
            2   C6a C    29.9064  -16.9642
            3   X   Cl   27.8064  -18.1765
            4   X   Cl   27.8064  -15.7517
            5   O6a O    30.6064  -18.1765
            6   O6a O    30.6064  -15.7517
            7   X   Cl   27.1064  -16.9642
BOND        6
            1     1   4 1
            2     2   5 1
            3     1   3 1
            4     2   6 2
            5     1   2 1
            6     1   7 1

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