KEGG   RPAIR: RP04881Help
Entry
RP04881                     RPair                                  

Name
C06674_C06675
Compound
C06674  
4-Sulfocatechol
C06675  
3-Sulfomuconate
Type
main
RDM
2
1     C8y-C6a:C8y+*-*+O6a:C8x+O1a-C2b+O6a
2     C8y-C6a:C8y+*-*+O6a:C8x+O1a-C2b+O6a
RClass
Related pair
Reaction
Enzyme
1.13.11.-
KCF data Show

ALIGN       12
            1     1:S4a   4:S4a
            2     2:C8y   1:C2c
            3     3:O1d   7:O1d
            4     4:O1d   9:O1d
            5     5:O1d   8:O1d
            6     6:C8x   3:C2b #M1
            7     7:C8x   2:C2b
            8     8:C8y   6:C6a #R1
            9     9:C8x   5:C2b #M2
            10   10:C8y  10:C6a #R2
            11   11:O1a  11:O6a #M1
            12   12:O1a  13:O6a #M2
            -     8:C8y     *   #D2
            -    10:C8y     *   #D1
            -       *    12:O6a #D1
            -       *    14:O6a #D2
ENTRY1      
 COMPOUND  C06674
 ATOM      12
            1   S4a S    -1.0828   -0.4655
            2   C8y C    -0.3690   -0.0552
            3   O1d O    -1.6655   -1.0517
            4   O1d O    -1.7966   -0.0552
            5   O1d O    -1.0828   -1.2931
            6   C8x C     0.3483   -0.4655
            7   C8x C    -0.3690    0.7724
            8   C8y C     1.0586   -0.0552
            9   C8x C     0.3483    1.1828
            10  C8y C     1.0586    0.7724
            11  O1a O     1.7759   -0.4655
            12  O1a O     1.7759    1.1828
 BOND      12
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     2   6 1
            6     2   7 2
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    8  11 1
            11   10  12 1
            12    9  10 2
ENTRY2      
 COMPOUND  C06675
 ATOM      14
            1   C2c C    -0.5483   -0.1069
            2   C2b C    -0.5483    0.7172
            3   C2b C     0.1655   -0.5172
            4   S4a S    -1.2655   -0.5207
            5   C2b C     0.1655    1.1310
            6   C6a C     0.8793   -0.1069
            7   O1d O    -1.8483   -1.1035
            8   O1d O    -1.9793   -0.1069
            9   O1d O    -1.2621   -1.3448
            10  C6a C     0.8759    0.7172
            11  O6a O     1.5931   -0.5172
            12  O6a O     1.0931   -0.8966
            13  O6a O     1.5931    1.1310
            14  O6a O     1.0862    1.5172
 BOND      13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12   10  13 1
            13   10  14 2

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