KEGG   RPAIR: RP04711Help
Entry
RP04711                     RPair                                  

Name
C00270_C06139
Compound
C00270  
N-Acetylneuraminate
C06139  
GQ1
Type
main
RDM
1
1     O1a-O2a:*-C1c:C1z-C1z
RClass
Reaction
Enzyme
KCF data Show

ALIGN       21
            1     1:C1y 115:C1y
            2     2:C1y 117:C1y
            3     3:O2x 113:O2x
            4     4:C1c 119:C1c
            5     5:C1y 116:C1y
            6     6:N1b 125:N1b
            7     7:C1z 112:C1z #M1
            8     8:C1c 120:C1c
            9     9:O1a 123:O1a
            10   10:C1x 114:C1x
            11   11:O1a 118:O1a
            12   12:C5a 126:C5a
            13   13:C6a 129:C6a
            14   14:O1a 102:O2a #R1
            15   15:C1b 121:C1b
            16   16:O1a 124:O1a
            17   17:C1a 127:C1a
            18   18:O5a 128:O5a
            19   19:O6a 131:O6a
            20   20:O6a 130:O6a
            21   21:O1a 122:O1a
            -       *   101:C1c #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  C06139
 ATOM      151
            1   C1z C    24.9667  -15.4467
            2   O2a O    22.5400  -13.0667
            3   O2x O    24.9667  -16.8467
            4   C1x C    26.1333  -14.7467
            5   C6a C    23.7533  -15.7733
            6   C1y C    22.5400  -11.8067
            7   C1y C    26.1800  -17.4533
            8   C1y C    27.3467  -15.4467
            9   C1y C    21.4200  -11.1067
            10  C1y C    23.7067  -11.1067
            11  C1y C    27.3467  -16.8000
            12  C1c C    26.1800  -18.8533
            13  O1a O    28.5133  -14.7467
            14  C1y C    21.4200   -9.7067
            15  O2a O    20.2067  -11.7600
            16  C1y C    23.7067   -9.7067
            17  O1a O    24.8733  -11.8067
            18  N1b N    28.5133  -17.4533
            19  C1c C    25.0133  -19.5067
            20  O1a O    27.3933  -19.5067
            21  O2x O    22.5400   -9.0533
            22  C1b C    20.2067   -9.0533
            23  C1y C    18.9933  -12.5067
            24  O2a O    24.8733   -9.0533
            25  C5a C    29.7267  -16.8000
            26  O2a O    23.8467  -18.8533
            27  C1b C    25.0133  -20.8600
            28  C1y C    18.9933  -13.9067
            29  O2x O    17.7800  -11.8067
            30  C1y C    26.0400   -8.3067
            31  O5a O    29.7267  -15.4000
            32  C1a C    30.8933  -17.4067
            33  O1a O    23.8467  -21.5600
            34  C1y C    17.7800  -14.6067
            35  N1b N    20.2067  -14.6067
            36  C1y C    16.5667  -12.5067
            37  C1y C    26.0400   -7.0000
            38  C1y C    27.2533   -9.0533
            39  C1y C    16.5667  -13.9067
            40  O2a O    17.7800  -15.9133
            41  C5a C    20.2067  -15.9600
            42  C1b C    15.3533  -11.8533
            43  O2x O    27.2533   -6.3000
            44  C1b C    24.8733   -6.3000
            45  C1y C    28.4200   -8.3067
            46  O1a O    27.2067  -10.4067
            47  O1a O    15.3533  -14.6067
            48  C1a C    21.4200  -16.6600
            49  O5a O    18.9933  -16.6600
            50  C1y C    28.4200   -7.0000
            51  O1a O    29.6333   -9.0533
            52  O2a O    29.6333   -6.3000
            53  C1b C    30.8467   -7.0000
            54  C1c C    31.9667   -6.2533
            55  C1c C    33.1333   -6.9533
            56  N1b N    31.9667   -4.9467
            57  C2b C    34.3467   -6.2533
            58  O1a O    33.1800   -8.3533
            59  C5a C    33.0867   -4.2000
            60  C2b C    35.5600   -6.9533
            61  O5a O    33.0867   -2.8467
            62  R   R    34.3000   -4.9000
            63  C1b C    36.7733   -6.2067
            64  C1b C    37.9867   -6.9067
            65  C1b C    39.2000   -6.2067
            66  C1b C    40.4600   -6.8600
            67  C1b C    41.5800   -6.1600
            68  C1b C    42.7933   -6.8600
            69  C1b C    44.0067   -6.1600
            70  C1b C    45.2200   -6.8133
            71  C1b C    46.4333   -6.1133
            72  C1b C    47.6467   -6.8133
            73  C1b C    48.8600   -6.1133
            74  C1b C    50.0733   -6.7667
            75  C1a C    51.1933   -6.0667
            76  O6a O    22.8200  -14.7933
            77  O6a O    23.3800  -17.1267
            78  O1a O    23.6600   -6.9533
            79  O1a O    18.9933   -9.8000
            80  O1a O    14.1867  -12.6000
            81  C1z C    14.0000  -21.1400
            82  O2x O    12.8333  -20.4400
            83  O2a O    15.4467  -20.0200
            84  C1x C    14.0000  -22.4933
            85  C6a C    15.1667  -21.7467
            86  C1y C    11.5733  -21.1400
            87  C1y C    15.4467  -18.6667
            88  C1y C    12.8333  -23.1933
            89  O6a O    16.3333  -21.0467
            90  O6a O    15.1667  -23.1467
            91  C1y C    11.5733  -22.4933
            92  C1y C    14.2333  -17.9667
            93  C1y C    16.6133  -17.9667
            94  O1a O    12.8333  -24.5467
            95  C1y C    14.2333  -16.6133
            96  O1a O    13.0667  -18.6200
            97  C1y C    16.6133  -16.6133
            98  O2x O    15.4467  -15.9600
            99  C1b C    13.0667  -15.9600
            100 C1c C    10.3600  -20.3933
            101 C1c C    10.3600  -18.9933
            102 O2a O     9.1000  -18.2467
            103 O1a O     9.1000  -21.1400
            104 C1b C    11.5733  -18.2467
            105 N1b N    10.3600  -23.1933
            106 C5a C    10.3600  -24.6400
            107 C1a C     9.1000  -25.3400
            108 O5a O    11.5733  -25.3400
            109 O1a O    17.8733  -18.6667
            110 O1a O    13.0667  -14.5600
            111 O1a O    11.5733  -16.8467
            112 C1z C     7.8867  -17.5467
            113 O2x O     6.7200  -16.8467
            114 C1x C     7.8867  -18.9000
            115 C1y C     5.5067  -17.5467
            116 C1y C     6.7200  -19.6000
            117 C1y C     5.5067  -18.9000
            118 O1a O     6.7200  -20.9533
            119 C1c C     4.2933  -16.8000
            120 C1c C     4.2933  -15.4000
            121 C1b C     3.0333  -14.6533
            122 O1a O     3.0333  -13.2067
            123 O1a O     3.0333  -17.5467
            124 O1a O     5.5067  -14.6533
            125 N1b N     4.2933  -19.6000
            126 C5a C     4.2933  -21.0467
            127 C1a C     3.0333  -21.7467
            128 O5a O     5.5067  -21.7467
            129 C6a C     8.5867  -16.3333
            130 O6a O     9.9867  -16.3333
            131 O6a O     7.8867  -15.1200
            132 C1z C    21.0467  -22.3533
            133 O2x O    19.8333  -23.0067
            134 C1x C    22.1200  -23.0533
            135 C1y C    19.8333  -24.4067
            136 C1y C    22.1200  -24.3600
            137 C1y C    21.0000  -25.0133
            138 O1a O    23.2400  -25.0600
            139 C1c C    18.6200  -25.0600
            140 C1c C    17.4533  -24.3600
            141 C1b C    16.2400  -25.0133
            142 O1a O    15.0267  -24.3600
            143 O1a O    18.6200  -26.4600
            144 O1a O    17.4533  -22.9600
            145 N1b N    20.9533  -26.3667
            146 C5a C    22.1200  -27.1133
            147 C1a C    22.1200  -28.4667
            148 O5a O    23.3333  -26.4133
            149 C6a C    20.3933  -21.1867
            150 O6a O    21.0000  -20.0667
            151 O6a O    18.9467  -21.1867
 BOND      158
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   10  17 1 #Down
            17   11  18 1 #Up
            18   12  19 1
            19   12  20 1 #Down
            20   14  21 1
            21   14  22 1 #Up
            22   23  15 1 #Up
            23   16  24 1 #Up
            24   18  25 1
            25   19  26 1 #Up
            26   19  27 1
            27   23  28 1
            28   23  29 1
            29   30  24 1 #Down
            30   25  31 2
            31   25  32 1
            32   27  33 1
            33   28  34 1
            34   28  35 1 #Down
            35   29  36 1
            36   30  37 1
            37   30  38 1
            38   34  39 1
            39   34  40 1 #Up
            40   35  41 1
            41   36  42 1 #Up
            42   37  43 1
            43   37  44 1 #Up
            44   38  45 1
            45   38  46 1 #Up
            46   39  47 1 #Up
            47   41  48 1
            48   41  49 2
            49   43  50 1
            50   45  51 1 #Down
            51   50  52 1 #Up
            52    8  11 1
            53   16  21 1
            54   36  39 1
            55   45  50 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   54  56 1 #Down
            60   55  57 1
            61   55  58 1 #Up
            62   56  59 1
            63   57  60 2
            64   59  61 2
            65   59  62 1
            66   60  63 1
            67   63  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   73  74 1
            78   74  75 1
            79    5  76 1
            80    5  77 2
            81   44  78 1
            82   22  79 1
            83   42  80 1
            84   81  82 1
            85   81  83 1 #Down
            86   81  84 1
            87   81  85 1 #Up
            88   82  86 1
            89   87  83 1 #Up
            90   84  88 1
            91   85  89 1
            92   85  90 2
            93   86  91 1
            94   87  92 1
            95   87  93 1
            96   88  94 1 #Down
            97   92  95 1
            98   92  96 1 #Up
            99   93  97 1
            100  95  98 1
            101  95  99 1 #Up
            102  97  40 1 #Up
            103  88  91 1
            104  97  98 1
            105  86 100 1
            106 100 101 1
            107 101 102 1 #Down
            108 100 103 1 #Down
            109 101 104 1
            110  91 105 1 #Up
            111 105 106 1
            112 106 107 1
            113 106 108 2
            114  93 109 1 #Down
            115  99 110 1
            116 104 111 1
            117 112 113 1
            118 112 114 1
            119 113 115 1
            120 114 116 1
            121 115 117 1
            122 116 118 1 #Down
            123 116 117 1
            124 115 119 1
            125 119 120 1
            126 120 121 1
            127 121 122 1
            128 119 123 1 #Down
            129 120 124 1 #Up
            130 117 125 1 #Up
            131 125 126 1
            132 126 127 1
            133 126 128 2
            134 112 129 1 #Up
            135 112 102 1 #Down
            136 129 130 2
            137 129 131 1
            138 132  26 1 #Down
            139 132 133 1
            140 132 134 1
            141 133 135 1
            142 134 136 1
            143 135 137 1
            144 136 138 1 #Down
            145 136 137 1
            146 135 139 1
            147 139 140 1
            148 140 141 1
            149 141 142 1
            150 139 143 1 #Down
            151 140 144 1 #Up
            152 137 145 1 #Up
            153 145 146 1
            154 146 147 1
            155 146 148 2
            156 132 149 1 #Up
            157 149 150 1
            158 149 151 2

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