KEGG   RPAIR: RP10242Help
Entry
RP10242                     RPair                                  

Name
C14786_C14791
Compound
C14786  
(1R,2S)-Naphthalene 1,2-oxide
C14791  
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene
Type
main
RDM
2
1     C1y-C1y:O2x+*-*+S2a:C1y+C2x-C1y+C2x
2     O2x-O1a:C1y-*:C1y-C1y
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       11
            1     1:C8x   1:C8x
            2     2:C8x   2:C8x
            3     3:C8x   3:C8x
            4     4:C8y   4:C8y
            5     5:C8y   5:C8y
            6     6:C8x   6:C8x
            7     7:C2x   7:C2x
            8     8:C2x   8:C2x #M1
            9     9:C1y   9:C1y #R1
            10   10:C1y  10:C1y #M1 #M2
            11   11:O2x  11:O1a #R2
            -     9:C1y     *   #D2
            -    11:O2x     *   #D1
            -       *    12:S2a #D1
ENTRY1      
 COMPOUND  C14786
 ATOM      11
            1   C8x C    15.0500  -17.5700
            2   C8x C    15.0500  -18.9700
            3   C8x C    16.2624  -19.6700
            4   C8y C    17.4749  -18.9700
            5   C8y C    17.4749  -17.5700
            6   C8x C    16.2624  -16.8700
            7   C2x C    18.6873  -19.6700
            8   C2x C    19.8997  -18.9700
            9   C1y C    19.8997  -17.5700
            10  C1y C    18.6873  -16.8700
            11  O2x O    19.8800  -16.1700
 BOND      13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   10  11 1 #Up
            13    9  11 1 #Up
ENTRY2      
 COMPOUND  C14791
 ATOM      31
            1   C8x C    17.5000  -19.3200
            2   C8x C    17.5000  -20.7200
            3   C8x C    18.6900  -21.4200
            4   C8y C    19.9500  -20.7200
            5   C8y C    19.9500  -19.3200
            6   C8x C    18.6900  -18.6200
            7   C2x C    21.1400  -21.4200
            8   C2x C    22.3300  -20.7200
            9   C1y C    22.3300  -19.3200
            10  C1y C    21.1400  -18.6200
            11  O1a O    21.1400  -17.3600
            12  S2a S    23.5200  -18.6200
            13  C1c C    24.7100  -16.1000
            14  C5a C    23.4500  -15.4700
            15  N1b N    25.9000  -15.4000
            16  C1b C    24.7100  -17.5000
            17  N1b N    22.2600  -16.1700
            18  O5a O    23.5200  -14.0700
            19  C5a C    27.1600  -16.0300
            20  C1b C    21.0700  -15.5400
            21  C1b C    28.3500  -15.3300
            22  O5a O    27.1600  -17.4300
            23  C6a C    19.8800  -16.2400
            24  C1b C    29.5400  -15.9600
            25  O6a O    18.6200  -15.6100
            26  O6a O    19.8800  -17.6400
            27  C1c C    30.7300  -15.1900
            28  C6a C    31.9900  -15.8900
            29  N1a N    30.7300  -13.7900
            30  O6a O    33.1100  -15.1200
            31  O6a O    31.9900  -17.2900
 BOND      32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   10  11 1 #Up
            13    9  12 1 #Down
            14   13  14 1
            15   13  15 1
            16   13  16 1 #Up
            17   14  17 1
            18   14  18 2
            19   15  19 1
            20   17  20 1
            21   19  21 1
            22   19  22 2
            23   20  23 1
            24   21  24 1
            25   23  25 1
            26   23  26 2
            27   24  27 1
            28   27  28 1
            29   27  29 1 #Down
            30   28  30 1
            31   28  31 2
            32   16  12 1

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