KEGG   RPAIR: RP10243Help
Entry
RP10243                     RPair                                  

Name
C14787_C14792
Compound
C14787  
(1S,2R)-Naphthalene 1,2-oxide
C14792  
(1S)-Hydroxy-(2S)-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  C14787
 ATOM      11
            1   C8x C    15.1200  -18.2000
            2   C8x C    15.1200  -19.6000
            3   C8x C    16.3324  -20.3000
            4   C8y C    17.5449  -19.6000
            5   C8y C    17.5449  -18.2000
            6   C8x C    16.3324  -17.5000
            7   C2x C    18.7573  -20.3000
            8   C2x C    19.9697  -19.6000
            9   C1y C    19.9697  -18.2000
            10  C1y C    18.7573  -17.5000
            11  O2x O    19.9500  -16.8000
 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 #Down
            13    9  11 1 #Down
ENTRY2      
 COMPOUND  C14792
 ATOM      31
            1   C8x C    17.3982  -21.6721
            2   C8x C    17.3982  -23.0752
            3   C8x C    18.5908  -23.7767
            4   C8y C    19.8535  -23.0752
            5   C8y C    19.8535  -21.6721
            6   C8x C    18.5908  -20.9706
            7   C2x C    21.0461  -23.7767
            8   C2x C    22.2387  -23.0752
            9   C1y C    22.2387  -21.6721
            10  C1y C    21.0461  -20.9706
            11  O1a O    21.0461  -19.7079
            12  S2a S    23.4313  -20.9706
            13  C1c C    24.6239  -18.4451
            14  C5a C    23.3611  -17.8137
            15  N1b N    25.8165  -17.7436
            16  C1b C    24.6239  -19.8482
            17  N1b N    22.1685  -18.5153
            18  O5a O    23.4313  -16.4107
            19  C5a C    27.0792  -18.3750
            20  C1b C    20.9759  -17.8839
            21  C1b C    28.2718  -17.6734
            22  O5a O    27.0792  -19.7780
            23  C6a C    19.7834  -18.5854
            24  C1b C    29.4644  -18.3048
            25  O6a O    18.5206  -17.9540
            26  O6a O    19.7834  -19.9885
            27  C1c C    30.6570  -17.5331
            28  C6a C    31.9198  -18.2346
            29  N1a N    30.6570  -16.1301
            30  O6a O    33.0422  -17.4630
            31  O6a O    31.9198  -19.6377
 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 #Down
            13    9  12 1 #Up
            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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