KEGG   RPAIR: RP09586Help
Entry
RP09586                     RPair                                  

Name
C12831_C12833
Compound
C12831  
3,4,6-Trichlorocatechol
C12833  
2,3,5-Trichloro-cis,cis-muconate
Type
main
RDM
2
1     C8y-C6a:C8y+*-*+O6a:C8y+O1a-C2c+O6a
2     C8y-C6a:C8y+*-*+O6a:C8y+O1a-C2c+O6a
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       11
            1     1:C8y   8:C6a #R1
            2     2:C8y   2:C6a #R2
            3     3:C8y   3:C2c #M2
            4     4:C8x   4:C2b
            5     5:C8y   5:C2c
            6     6:C8y   6:C2c #M1
            7     7:X     7:X  
            8     8:X    13:X  
            9     9:X    12:X  
            10   10:O1a  11:O6a #M2
            11   11:O1a   9:O6a #M1
            -     1:C8y     *   #D2
            -     2:C8y     *   #D1
            -       *     1:O6a #D2
            -       *    10:O6a #D1
ENTRY1      
 COMPOUND  C12831
 ATOM      11
            1   C8y C    10.7625  -13.6458
            2   C8y C    10.7625  -14.4708
            3   C8y C    11.4787  -14.8833
            4   C8x C    12.1907  -14.4708
            5   C8y C    12.1907  -13.6458
            6   C8y C    11.4787  -13.2333
            7   X   Cl   11.4797  -12.4083
            8   X   Cl   12.9055  -13.2339
            9   X   Cl   11.4797  -15.7083
            10  O1a O    10.0482  -14.8837
            11  O1a O    10.0482  -13.2330
 BOND      11
            1     5   6 2
            2     6   1 1
            3     6   7 1
            4     1   2 2
            5     5   8 1
            6     2   3 1
            7     3   9 1
            8     3   4 2
            9     2  10 1
            10    4   5 1
            11    1  11 1
ENTRY2      
 COMPOUND  C12833
 ATOM      13
            1   O6a O     2.6250    0.3250
            2   C6a C     3.3417    0.7417
            3   C2c C     4.0583    0.3292
            4   C2b C     4.7750    0.7458
            5   C2c C     4.7732    1.5750
            6   C2c C     5.4909    1.9891
            7   X   Cl    5.4891    2.8182
            8   C6a C     6.2105    1.5781
            9   O6a O     6.2123    0.7490
            10  O6a O     6.9282    1.9922
            11  O6a O     3.3399    1.5708
            12  X   Cl    4.0601   -0.5000
            13  X   Cl    4.0536    1.9859
 BOND      12
            1     6   7 1
            2     3   4 2
            3     6   8 1
            4     8   9 1
            5     4   5 1
            6     8  10 2
            7     2   3 1
            8     2  11 1
            9     5   6 2
            10    3  12 1
            11    1   2 2
            12    5  13 1

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