KEGG   COMPOUND: C11149Help
Entry
C11149                      Compound                               

Name
Dichloroacetate
Formula
C2H2Cl2O2
Exact mass
127.9432
Mol weight
128.9421
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
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C11149  Dichloroacetate
BRITE hierarchy
Other DBs
CAS: 79-43-6
PubChem: 13331
ChEBI: 36386
ChEMBL: CHEMBL13960
PDB-CCD: TF4[PDBj]
NIKKAJI: J2.834G
LinkDB All DBs
KCF data Show

ATOM        6
            1   X   Cl   22.6753  -16.7251
            2   C1c C    23.8648  -17.4249
            3   C6a C    25.1244  -16.7251
            4   O6a O    26.3139  -17.4249
            5   X   Cl   23.8648  -18.8243
            6   O6a O    25.1244  -15.3257
BOND        5
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 1
            5     3   6 2

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