KEGG   COMPOUND: C12835
Entry
C12835                      Compound                               
Name
2,5-Dichloro-4-oxohex-2-enedioate;
2,5-Dichloro-4-oxohex-2-enedioic acid
Formula
C6H4Cl2O5
Exact mass
225.9436
Mol weight
226.999
Structure
Reaction
R06835 R06848
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.32        3.1.1.45
Other DBs
PubChem: 583224
ChEBI: 177587 19373 31074
LIPIDMAPS: LMFA01090152
NIKKAJI: J2.783.869C
LinkDB
KCF data

ATOM        13
            1   O6a O    25.8453  -18.7191
            2   C6a C    27.0550  -18.0187
            3   C2c C    28.2647  -18.7191
            4   C2b C    29.4744  -18.0187
            5   O6a O    27.0550  -16.6180
            6   X   Cl   28.2647  -20.1198
            7   C5a C    29.4744  -16.6180
            8   C1c C    30.6875  -15.9176
            9   O5a O    28.2613  -15.9176
            10  X   Cl   31.9005  -16.6180
            11  C6a C    30.6875  -14.5169
            12  O6a O    31.9005  -13.8165
            13  O6a O    29.4744  -13.8165
BOND        12
            1     4   7 1
            2     3   4 2
            3     7   8 1
            4     7   9 2
            5     2   5 2
            6     8  10 1
            7     2   3 1
            8     8  11 1
            9     3   6 1
            10   11  12 1
            11    1   2 1
            12   11  13 2

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