KEGG   COMPOUND: C11149
Entry
C11149                      Compound                               
Name
Dichloroacetate;
Dichloroacetic acid
Formula
C2H2Cl2O2
Exact mass
127.9432
Mol weight
128.9421
Structure
Reaction
Pathway
map00625  Chloroalkane and chloroalkene degradation
map00980  Metabolism of xenobiotics by cytochrome P450
map01120  Microbial metabolism in diverse environments
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0109 Halogenated fatty acids
    C11149  Dichloroacetic acid
Other DBs
CAS: 79-43-6
PubChem: 13331
ChEBI: 36386
LIPIDMAPS: LMFA01090070
PDB-CCD: TF4[PDBj]
NIKKAJI: J2.834G
LinkDB
KCF data

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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