KEGG   RPAIR: RP10254Help
Entry
RP10254                     RPair                                  

Name
C14802_C14803
Compound
C14802  
1-Nitronaphthalene-7,8-oxide
C14803  
1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene
Type
main
RDM
2
1     C1y-C1y:O2x+*-*+S2a:C1y+C8y-C1y+C8y
2     O2x-O1a:C1y-*:C1y-C1y
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       14
            1     1:C1y   9:C1y #M1 #M2
            2     2:C2x   8:C2x
            3     3:C2x   7:C2x
            4     4:C8y   4:C8y
            5     5:C8y   5:C8y #M1
            6     6:C1y  10:C1y #R1
            7     7:C8x   3:C8x
            8     8:C8x   2:C8x
            9     9:C8x   1:C8x
            10   10:C8y   6:C8y
            11   11:N2b  32:N2b
            12   12:O3a  33:O3a
            13   13:O3a  34:O3a
            14   14:O2x  12:O1a #R2
            -     6:C1y     *   #D2
            -    14:O2x     *   #D1
            -       *    11:S2a #D1
ENTRY1      
 COMPOUND  C14802
 ATOM      14
            1   C1y C    22.8218  -19.9510
            2   C2x C    22.8218  -21.3510
            3   C2x C    24.0342  -22.0510
            4   C8y C    25.2468  -21.3510
            5   C8y C    25.2468  -19.9510
            6   C1y C    24.0342  -19.2510
            7   C8x C    26.4592  -22.0510
            8   C8x C    27.6717  -21.3510
            9   C8x C    27.6717  -19.9510
            10  C8y C    26.4592  -19.2510
            11  N2b N    26.4592  -17.8509 #+
            12  O3a O    27.6738  -17.1497 #-
            13  O3a O    25.2514  -17.1536
            14  O2x O    22.8200  -18.5500
 BOND      16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15    1  14 1
            16    6  14 1
ENTRY2      
 COMPOUND  C14803
 ATOM      34
            1   C8x C    31.1931  -22.6851
            2   C8x C    31.1931  -24.0588
            3   C8x C    30.0254  -24.7457
            4   C8y C    28.7890  -24.0588
            5   C8y C    28.7890  -22.6851
            6   C8y C    30.0254  -21.9982
            7   C2x C    27.6214  -24.7457
            8   C2x C    26.4537  -24.0588
            9   C1y C    26.4537  -22.6851
            10  C1y C    27.6214  -21.9982
            11  S2a S    27.6214  -20.8305
            12  O1a O    25.2860  -21.9982
            13  C1c C    26.3850  -17.4649
            14  C5a C    27.6214  -16.7780
            15  N1b N    25.2173  -16.7093
            16  C1b C    26.3850  -18.8386
            17  N1b N    28.7890  -17.5336
            18  O5a O    27.6227  -15.4043
            19  C5a C    23.9810  -17.3962
            20  C1b C    29.9567  -16.8467
            21  C1b C    22.8133  -16.6406
            22  O5a O    23.9810  -18.7699
            23  C6a C    31.1244  -17.6023
            24  C1b C    21.6456  -17.2588
            25  O6a O    32.3608  -16.9154
            26  O6a O    31.1244  -18.9760
            27  C1c C    20.4779  -16.5033
            28  C6a C    19.2416  -17.1901
            29  N1a N    20.4779  -15.1295
            30  O6a O    18.1426  -16.4346
            31  O6a O    19.2416  -18.6326
            32  N2b N    30.0423  -20.6246 #+
            33  O3a O    31.2274  -19.9595 #-
            34  O3a O    28.8486  -19.9157
 BOND      35
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   10  11 1
            13    9  12 1
            14   13  14 1
            15   13  15 1
            16   13  16 1 #Down
            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 #Up
            30   28  30 1
            31   28  31 2
            32   16  11 1
            33    6  32 1
            34   32  33 1
            35   32  34 2

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