KEGG   RPAIR: RP13290Help
Entry
RP13290                     RPair                                  

Name
C07394_C16524
Compound
C07394  
Paclitaxel
C16524  
3'-N-Debenzoyltaxol
Type
main
RDM
1
1     N1b-N1a:C5a-*:C1c-C1c
RClass
Related pair
RP00167 RP00245 RP00258 RP00269 RP00279 RP00335 RP00423
RP00425 RP00431 RP00508 RP00611 RP00724 RP00824 RP00863
RP00864 RP00881 RP00975 RP00991 RP01042 RP01057 RP01071
RP01130 RP01172 RP01186 RP01300 RP01330 RP01331 RP01338
RP01391 RP01607 RP01668 RP01931 RP02027 RP02036 RP02037
RP02039 RP02060 RP02199 RP02248 RP02249 RP02291 RP02319
RP02446 RP02448 RP02494 RP02498 RP02500 RP02828 RP03435
RP03478 RP03482 RP03520 RP03533 RP03556 RP03576 RP03587
RP03738 RP03793 RP03875 RP03951 RP03994 RP04010 RP04219
RP04240 RP04262 RP04266 RP04330 RP04409 RP04457 RP04458
 » show all
Reaction
Enzyme
2.3.1.-
KCF data Show

ALIGN       54
            1     1:C1y   1:C1y
            2     2:C1z   2:C1z
            3     3:C1y   3:C1y
            4     4:C1z   4:C1z
            5     5:C1y   5:C1y
            6     6:C1x   6:C1x
            7     7:O7a   7:O7a
            8     8:C1z   8:C1z
            9     9:O7a   9:O7a
            10   10:C5x  10:C5x
            11   11:C1y  11:C1y
            12   12:C1a  12:C1a
            13   13:O2x  13:O2x
            14   14:C1x  14:C1x
            15   15:C7a  15:C7a
            16   16:C1z  16:C1z
            17   17:C1x  17:C1x
            18   18:O1a  18:O1a
            19   19:C7a  19:C7a
            20   20:C1y  20:C1y
            21   21:O5x  21:O5x
            22   22:O1a  22:O1a
            23   23:C1a  23:C1a
            24   24:O6a  24:O6a
            25   25:C2y  25:C2y
            26   26:C1a  26:C1a
            27   27:C1a  27:C1a
            28   28:C1y  28:C1y
            29   29:C8y  29:C8y
            30   30:O6a  30:O6a
            31   31:O7a  31:O7a
            32   32:C2y  32:C2y
            33   33:O7a  33:O7a
            34   34:C7a  34:C7a
            35   35:C1a  35:C1a
            36   36:C7a  36:C7a
            37   37:C1a  37:C1a
            38   38:O6a  38:O6a
            39   39:C1c  39:C1c
            40   40:O6a  40:O6a
            41   41:C1c  41:C1c #M1
            42   42:O1a  42:O1a
            43   43:C8y  43:C8y
            44   44:N1b  44:N1a #R1
            45   45:C8x  45:C8x
            46   46:C8x  46:C8x
            47   48:C8x  47:C8x
            48   49:C8x  48:C8x
            49   52:C8x  49:C8x
            50   58:C8x  50:C8x
            51   59:C8x  51:C8x
            52   60:C8x  52:C8x
            53   61:C8x  53:C8x
            54   62:C8x  54:C8x
            -    47:C5a     *   #D1
ENTRY1      
 COMPOUND  C07394
 ATOM      62
            1   C1y C    27.9885   -9.8660
            2   C1z C    29.1081  -10.4957
            3   C1y C    27.1489  -10.7056
            4   C1z C    27.9885   -8.5365
            5   C1y C    30.2276   -9.8660
            6   C1x C    30.2276  -11.2654
            7   O7a O    29.1081  -11.8951
            8   C1z C    24.6999  -10.7056
            9   O7a O    27.2189  -13.0147
            10  C5x C    26.3092   -7.4869
            11  C1y C    29.1081   -7.9068
            12  C1a C    28.0585   -6.5073
            13  O2x O    31.2772  -10.5657
            14  C1x C    30.2276   -8.5365
            15  C7a C    30.2976  -12.5948
            16  C1z C    24.6999   -9.4461
            17  C1x C    23.5803  -11.3354
            18  O1a O    24.6299  -11.9651
            19  C7a C    26.0293  -13.6444
            20  C1y C    23.5803   -7.4869
            21  O5x O    26.3092   -6.0875
            22  O1a O    29.1081   -6.7872
            23  C1a C    31.4871  -11.8951
            24  O6a O    30.2976  -13.9943
            25  C2y C    23.5803   -8.7464
            26  C1a C    25.5395   -8.3966
            27  C1a C    25.6795   -9.9359
            28  C1y C    22.4608  -10.7056
            29  C8y C    26.0993  -14.9039
            30  O6a O    24.9798  -12.9447
            31  O7a O    22.4608   -6.8572
            32  C2y C    22.4608   -9.4461
            33  O7a O    20.9914  -11.4753
            34  C7a C    22.4608   -5.5277
            35  C1a C    21.3413   -8.7464
            36  C7a C    19.8019  -10.7756
            37  C1a C    23.5803   -4.8980
            38  O6a O    21.3413   -4.8980
            39  C1c C    18.6124  -11.4753
            40  O6a O    19.8019   -9.4461
            41  C1c C    17.4928  -10.7756
            42  O1a O    18.6124  -12.8048
            43  C8y C    16.3033  -11.4753
            44  N1b N    17.4928   -9.4461
            45  C8x C    15.1838  -10.7756
            46  C8x C    16.3033  -12.8048
            47  C5a C    16.3033   -8.7464
            48  C8x C    13.9943  -11.4753
            49  C8x C    15.1838  -13.5045
            50  C8y C    16.3033   -7.4170
            51  O5a O    15.1838   -9.4461
            52  C8x C    13.9943  -12.8048
            53  C8x C    15.1838   -6.7872
            54  C8x C    17.4928   -6.7872
            55  C8x C    15.1838   -5.3878
            56  C8x C    17.4928   -5.3878
            57  C8x C    16.3033   -4.7581
            58  C8x C    24.8398  -15.6036
            59  C8x C    24.8398  -17.0030
            60  C8x C    26.0293  -17.7028
            61  C8x C    27.2888  -17.0030
            62  C8x C    27.2888  -15.6036
 BOND      68
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Up
            12    5  13 1 #Up
            13    5  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    8  18 1 #Up
            18    9  19 1
            19   10  20 1
            20   10  21 2
            21   11  22 1 #Up
            22   15  23 1
            23   15  24 2
            24   16  25 1
            25   16  26 1
            26   16  27 1
            27   17  28 1
            28   19  29 1
            29   19  30 2
            30   20  31 1 #Up
            31   25  32 2
            32   28  33 1 #Down
            33   31  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 2
            38   36  39 1
            39   36  40 2
            40   39  41 1
            41   39  42 1 #Down
            42   41  43 1
            43   41  44 1 #Down
            44   43  45 2
            45   43  46 1
            46   44  47 1
            47   45  48 1
            48   46  49 2
            49   47  50 1
            50   47  51 2
            51   48  52 2
            52   50  53 1
            53   50  54 2
            54   53  55 2
            55   54  56 1
            56   55  57 1
            57    6  13 1
            58   11  14 1
            59   20  25 1
            60   28  32 1
            61   49  52 1
            62   56  57 2
            63   29  58 2
            64   58  59 1
            65   59  60 2
            66   60  61 1
            67   61  62 2
            68   29  62 1
ENTRY2      
 COMPOUND  C16524
 ATOM      54
            1   C1y C    27.9566   -9.8054
            2   C1z C    29.0693  -10.4312
            3   C1y C    27.1221  -10.6398
            4   C1z C    27.9566   -8.4841
            5   C1y C    30.1819   -9.8054
            6   C1x C    30.1819  -11.1962
            7   O7a O    29.0693  -11.8221
            8   C1z C    24.6881  -10.6398
            9   O7a O    27.1916  -12.9347
            10  C5x C    26.2876   -7.4409
            11  C1y C    29.0693   -7.8582
            12  C1a C    28.0261   -6.4674
            13  O2x O    31.2250  -10.5008
            14  C1x C    30.1819   -8.4841
            15  C7a C    30.2515  -12.5175
            16  C1z C    24.6881   -9.3881
            17  C1x C    23.5755  -11.2657
            18  O1a O    24.6186  -11.8916
            19  C7a C    26.0094  -13.5606
            20  C1y C    23.5755   -7.4409
            21  O5x O    26.2876   -6.0501
            22  O1a O    29.0693   -6.7455
            23  C1a C    31.4337  -11.8221
            24  O6a O    30.2515  -13.9083
            25  C2y C    23.5755   -8.6927
            26  C1a C    25.5226   -8.3450
            27  C1a C    25.6617   -9.8749
            28  C1y C    22.4628  -10.6398
            29  C8y C    26.0790  -14.8123
            30  O6a O    24.9663  -12.8652
            31  O7a O    22.4628   -6.8151
            32  C2y C    22.4628   -9.3881
            33  O7a O    21.0024  -11.4048
            34  C7a C    22.4628   -5.4938
            35  C1a C    21.3502   -8.6927
            36  C7a C    19.8202  -10.7094
            37  C1a C    23.5755   -4.8679
            38  O6a O    21.3502   -4.8679
            39  C1c C    18.6380  -11.4048
            40  O6a O    19.8202   -9.3881
            41  C1c C    17.5254  -10.7094
            42  O1a O    18.6380  -12.7261
            43  C8y C    16.3432  -11.4048
            44  N1a N    17.5254   -9.3881
            45  C8x C    15.2305  -10.7094
            46  C8x C    16.3432  -12.7261
            47  C8x C    14.0483  -11.4048
            48  C8x C    15.2305  -13.4215
            49  C8x C    14.0483  -12.7261
            50  C8x C    24.8272  -15.5078
            51  C8x C    24.8272  -16.8986
            52  C8x C    26.0094  -17.5940
            53  C8x C    27.2612  -16.8986
            54  C8x C    27.2612  -15.5078
 BOND      59
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Up
            12    5  13 1 #Up
            13    5  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    8  18 1 #Up
            18    9  19 1
            19   10  20 1
            20   10  21 2
            21   11  22 1 #Up
            22   15  23 1
            23   15  24 2
            24   16  25 1
            25   16  26 1
            26   16  27 1
            27   17  28 1
            28   19  29 1
            29   19  30 2
            30   20  31 1 #Up
            31   25  32 2
            32   28  33 1 #Down
            33   31  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 2
            38   36  39 1
            39   36  40 2
            40   39  41 1
            41   39  42 1 #Down
            42   41  43 1
            43   41  44 1 #Down
            44   43  45 2
            45   43  46 1
            46   45  47 1
            47   46  48 2
            48   47  49 2
            49    6  13 1
            50   11  14 1
            51   20  25 1
            52   28  32 1
            53   48  49 1
            54   29  50 2
            55   50  51 1
            56   51  52 2
            57   52  53 1
            58   53  54 2
            59   29  54 1

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