KEGG   COMPOUND: C12836
Entry
C12836                      Compound                               
Name
2-Chloro-3-oxoadipate
Formula
C6H7ClO5
Exact mass
193.9982
Mol weight
194.5698
Structure
Reaction
R06848 R06855
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.32
Other DBs
PubChem: 583225
ChEBI: 19500
NIKKAJI: J2.783.870G
LinkDB
KCF data

ATOM        12
            1   O6a O    24.6086  -17.2923
            2   C6a C    25.8213  -16.5943
            3   C1b C    27.0338  -17.2923
            4   C1b C    28.2465  -16.5943
            5   C5a C    29.4521  -17.2923
            6   C1c C    30.6648  -16.5943
            7   C6a C    31.8774  -17.2923
            8   O6a O    33.0901  -16.5943
            9   O6a O    25.8213  -15.1912
            10  O5a O    29.4521  -18.6952
            11  X   Cl   30.6648  -15.1912
            12  O6a O    31.8774  -18.6952
BOND        11
            1     1   2 1
            2     6   7 1
            3     3   4 1
            4     7   8 1
            5     2   9 2
            6     4   5 1
            7     5  10 2
            8     2   3 1
            9     6  11 1
            10    5   6 1
            11    7  12 2

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