KEGG   RPAIR: RP05013Help
Entry
RP05013                     RPair                                  

Name
C02933_C03918
Compound
C02933  
3,5-Dichlorocatechol
C03918  
2,4-Dichloro-cis,cis-muconate
Type
main
RDM
2
1     C8y-C6a:C8y+*-*+O6a:C8y+O1a-C2c+O6a
2     C8y-C6a:C8y+*-*+O6a:C8x+O1a-C2b+O6a
RClass
Related pair
Reaction
Enzyme
1.13.11.-
KCF data Show

ALIGN       10
            1     1:C8y   7:C6a #R1
            2     2:C8y   6:C6a #R2
            3     3:C8y   5:C2c #M1
            4     4:O1a  11:O6a #M1
            5     5:C8x   3:C2b #M2
            6     6:O1a   9:O6a #M2
            7     7:C8x   2:C2b
            8     8:X     8:X  
            9     9:C8y   1:C2c
            10   10:X     4:X  
            -     1:C8y     *   #D2
            -     2:C8y     *   #D1
            -       *    10:O6a #D2
            -       *    12:O6a #D1
ENTRY1      
 COMPOUND  C02933
 ATOM      10
            1   C8y C     0.5241    0.3034
            2   C8y C    -0.1345    0.6793
            3   C8y C     0.5241   -0.4552
            4   O1a O     1.1724    0.6828
            5   C8x C    -0.7828    0.3034
            6   O1a O    -0.1345    1.4310
            7   C8x C    -0.1345   -0.8379
            8   X   Cl    1.1759   -0.8276
            9   C8y C    -0.7828   -0.4552
            10  X   Cl   -1.4345   -0.8241
 BOND      10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     5   9 2
            9     9  10 1
            10    7   9 1
ENTRY2      
 COMPOUND  C03918
 ATOM      12
            1   C2c C    -0.1069   -0.4379
            2   C2b C    -0.1069    0.3138
            3   C2b C    -0.7586   -0.8138
            4   X   Cl    0.5414   -0.8138
            5   C2c C     0.5414    0.6862
            6   C6a C    -1.4069   -0.4379
            7   C6a C     1.1897    0.3138
            8   X   Cl    0.5414    1.4379
            9   O6a O    -1.4034    0.3138
            10  O6a O    -2.0552   -0.8138
            11  O6a O     1.1897   -0.4379
            12  O6a O     1.8379    0.6897
 BOND      11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 2

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