KEGG   RPAIR: RP03105Help
Entry
RP03105                     RPair                                  

Name
C00270_C04730
Compound
C00270  
N-Acetylneuraminate
C04730  
GM3
Type
main
RDM
1
1     O1a-O2a:*-C1y:C1z-C1z
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       21
            1     1:C1y  51:C1y
            2     2:C1y  55:C1y
            3     3:O2x  48:O2x
            4     4:C1c  57:C1c
            5     5:C1y  52:C1y
            6     6:N1b  63:N1b
            7     7:C1z  47:C1z #M1
            8     8:C1c  58:C1c
            9     9:O1a  61:O1a
            10   10:C1x  49:C1x
            11   11:O1a  56:O1a
            12   12:C5a  64:C5a
            13   13:C6a  50:C6a
            14   14:O1a   1:O2a #R1
            15   15:C1b  59:C1b
            16   16:O1a  62:O1a
            17   17:C1a  65:C1a
            18   18:O5a  66:O5a
            19   19:O6a  53:O6a
            20   20:O6a  54:O6a
            21   21:O1a  60:O1a
            -       *     2:C1y #D1
ENTRY1      
 COMPOUND  C00270
 ATOM      21
            1   C1y C    -0.2517    0.1552
            2   C1y C    -0.2517   -0.6759
            3   O2x O     0.4690    0.5655
            4   C1c C    -0.9724    0.5655
            5   C1y C     0.4690   -1.0931
            6   N1b N    -0.9724   -1.0931
            7   C1z C     1.1828    0.1552
            8   C1c C    -0.9690    1.3966
            9   O1a O    -1.6897    0.1552
            10  C1x C     1.1828   -0.6759
            11  O1a O     0.4690   -1.9207
            12  C5a C    -0.9690   -1.9172
            13  C6a C     1.7690    0.7448
            14  O1a O     1.9793   -0.0586
            15  C1b C    -1.6897    1.8138
            16  O1a O    -0.2517    1.8138
            17  C1a C    -1.6828   -2.3310
            18  O5a O    -0.2552   -2.3276
            19  O6a O     2.5724    0.5345
            20  O6a O     1.5448    1.5448
            21  O1a O    -1.6897    2.6414
 BOND      21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1 #Either
            13    7  14 1
            14    8  15 1
            15    8  16 1 #Up
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   13  20 2
            20   15  21 1
            21    7  10 1
ENTRY2      
 COMPOUND  C04730
 ATOM      66
            1   O2a O    10.7371  -18.6551
            2   C1y C    10.7841  -17.2465
            3   C1y C    12.0049  -16.5892
            4   C1y C     9.6102  -16.5422
            5   C1y C    12.0049  -15.2275
            6   O1a O    12.9909  -17.1057
            7   C1y C     9.6102  -15.1336
            8   O1a O     8.3425  -17.1995
            9   O2a O    13.2258  -14.5232
            10  O2x O    10.8311  -14.4763
            11  C1b C     8.4365  -14.4293
            12  C1y C    14.4465  -13.8658
            13  O1a O     7.2626  -15.1336
            14  C1y C    14.4465  -12.5042
            15  C1y C    15.6204  -14.6171
            16  O2x O    15.6204  -11.8468
            17  C1b C    13.2258  -11.7529
            18  C1y C    16.8412  -13.9128
            19  O1a O    15.5734  -15.9788
            20  C1y C    16.8412  -12.5511
            21  O1a O    12.0519  -12.5042
            22  O1a O    18.0151  -14.6640
            23  O2a O    18.0619  -11.8938
            24  C1b C    19.2828  -12.5981
            25  C1c C    20.4566  -11.8468
            26  C1c C    21.6775  -12.5511
            27  N1b N    20.4566  -10.4852
            28  C2b C    22.8982  -11.8468
            29  O1a O    21.7244  -13.9597
            30  C5a C    21.6305   -9.7339
            31  C2b C    24.1190  -12.5511
            32  O5a O    21.6305   -8.3722
            33  R   R    22.8512  -10.4382
            34  C1b C    25.3399  -11.7999
            35  C1b C    26.5137  -12.5042
            36  C1b C    27.7345  -11.7999
            37  C1b C    28.9553  -12.4572
            38  C1b C    30.1761  -11.7529
            39  C1b C    31.3969  -12.4572
            40  C1b C    32.6177  -11.7529
            41  C1b C    33.7916  -12.4102
            42  C1b C    35.0123  -11.7059
            43  C1b C    36.2331  -12.4102
            44  C1b C    37.4540  -11.7059
            45  C1b C    38.6748  -12.3633
            46  C1a C    39.8955  -11.6590
            47  C1z C     9.2816  -19.7820
            48  O2x O     8.1077  -19.0777
            49  C1x C     9.2816  -21.1437
            50  C6a C    10.4554  -20.3925
            51  C1y C     6.8870  -19.7820
            52  C1y C     8.1077  -21.8480
            53  O6a O    11.6293  -19.6882
            54  O6a O    10.4554  -21.8011
            55  C1y C     6.8870  -21.1437
            56  O1a O     8.1077  -23.2097
            57  C1c C     5.6661  -19.0307
            58  C1c C     5.6661  -17.6221
            59  C1b C     4.3983  -16.8709
            60  O1a O     4.3983  -15.4153
            61  O1a O     4.3983  -19.7820
            62  O1a O     6.8870  -16.8709
            63  N1b N     5.6661  -21.8480
            64  C5a C     5.6661  -23.3036
            65  C1a C     4.3983  -24.0079
            66  O5a O     6.8870  -24.0079
 BOND      68
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     5  10 1
            10    7  11 1 #Up
            11   12   9 1 #Down
            12   11  13 1
            13   12  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1 #Up
            17   15  18 1
            18   15  19 1 #Up
            19   16  20 1
            20   17  21 1
            21   18  22 1 #Down
            22   20  23 1 #Up
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1 #Down
            27   26  28 1
            28   26  29 1 #Up
            29   27  30 1
            30   28  31 2
            31   30  32 2
            32   30  33 1
            33   31  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46    7  10 1
            47   18  20 1
            48   47  48 1
            49   47   1 1 #Down
            50   47  49 1
            51   47  50 1 #Up
            52   48  51 1
            53   49  52 1
            54   50  53 1
            55   50  54 2
            56   51  55 1
            57   52  56 1 #Down
            58   52  55 1
            59   51  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   57  61 1 #Down
            64   58  62 1 #Up
            65   55  63 1 #Up
            66   63  64 1
            67   64  65 1
            68   64  66 2

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