KEGG   COMPOUND: C06755
Entry
C06755                      Compound                               
Name
Chloroacetic acid;
Chloroethanoic acid
Formula
C2H3ClO2
Exact mass
93.9822
Mol weight
94.497
Structure
Remark
Same as: D07677
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map00625  Chloroalkane and chloroalkene degradation
map00980  Metabolism of xenobiotics by cytochrome P450
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.1.3         3.8.1.2         3.8.1.3
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0109 Halogenated fatty acids
    C06755  Chloroacetic acid
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Others
    C06755  Chloroacetic acid
Other DBs
CAS: 79-11-8
PubChem: 8976
ChEBI: 27869
LIPIDMAPS: LMFA01090068
PDB-CCD: R3W[PDBj]
NIKKAJI: J2.409K
LinkDB
KCF data

ATOM        5
            1   C6a C    29.4643  -17.2900
            2   C1b C    28.2564  -17.9960
            3   O6a O    30.6723  -17.9843
            4   O6a O    29.4643  -15.8837
            5   X   Cl   27.0427  -17.2958
BOND        4
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1

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