KEGG   RPAIR: RP10078Help
Entry
RP10078                     RPair                                  

Name
C00051_C14792
Compound
C00051  
Glutathione
C14792  
(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene
Type
main
RDM
1
1     S1a-S2a:*-C1y:C1b-C1b
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       20
            1     1:C1c  13:C1c
            2     2:C5a  14:C5a
            3     3:N1b  15:N1b
            4     4:C1b  16:C1b #M1
            5     5:N1b  17:N1b
            6     6:O5a  18:O5a
            7     7:C5a  19:C5a
            8     8:S1a  12:S2a #R1
            9     9:C1b  20:C1b
            10   10:C1b  21:C1b
            11   11:O5a  22:O5a
            12   12:C6a  23:C6a
            13   13:C1b  24:C1b
            14   14:O6a  25:O6a
            15   15:O6a  26:O6a
            16   16:C1c  27:C1c
            17   17:C6a  28:C6a
            18   18:N1a  29:N1a
            19   19:O6a  31:O6a
            20   20:O6a  30:O6a
            -       *     9:C1y #D1
ENTRY1      
 COMPOUND  C00051
 ATOM      20
            1   C1c C    23.3035  -16.0833
            2   C5a C    24.5382  -16.7445
            3   N1b N    22.1157  -16.8206
            4   C1b C    23.3035  -14.6849
            5   N1b N    25.7259  -16.0073
            6   O5a O    24.6026  -18.3530
            7   C5a C    20.8813  -16.1593
            8   S1a S    24.4914  -13.9477
            9   C1b C    26.9605  -16.6684
            10  C1b C    19.6876  -16.8966
            11  O5a O    20.8812  -14.7610
            12  C6a C    28.1483  -15.9255
            13  C1b C    18.4589  -16.2355
            14  O6a O    29.3830  -16.5865
            15  O6a O    28.1541  -14.5269
            16  C1c C    17.2652  -16.9787
            17  C6a C    16.0306  -16.3174
            18  N1a N    17.3120  -18.3770
            19  O6a O    14.8779  -17.1132
            20  O6a O    16.0540  -14.9131
 BOND      19
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16   16  17 1
            17   16  18 1 #Down
            18   17  19 1
            19   17  20 2
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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