KEGG   RPAIR: RP04713Help
Entry
RP04713                     RPair                                  

Name
C00270_C06140
Compound
C00270  
N-Acetylneuraminate
C06140  
GT1b
Type
main
RDM
1
1     O1a-O2a:*-C1y:C1z-C1z
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       21
            1     1:C1y  96:C1y
            2     2:C1y 100:C1y
            3     3:O2x  93:O2x
            4     4:C1c 102:C1c
            5     5:C1y  97:C1y
            6     6:N1b 108:N1b
            7     7:C1z  92:C1z #M1
            8     8:C1c 103:C1c
            9     9:O1a 106:O1a
            10   10:C1x  94:C1x
            11   11:O1a 101:O1a
            12   12:C5a 109:C5a
            13   13:C6a  95:C6a
            14   14:O1a  89:O2a #R1
            15   15:C1b 104:C1b
            16   16:O1a 107:O1a
            17   17:C1a 110:C1a
            18   18:O5a 111:O5a
            19   19:O6a  98:O6a
            20   20:O6a  99:O6a
            21   21:O1a 105:O1a
            -       *    85: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  C06140
 ATOM      131
            1   C1z C    19.3200  -16.4733
            2   O2a O    16.8933  -14.0933
            3   O2x O    19.3200  -17.8733
            4   C1x C    20.4867  -15.7733
            5   C6a C    18.1067  -16.8000
            6   C1y C    16.8933  -12.8333
            7   C1y C    20.5333  -18.4800
            8   C1y C    21.7000  -16.4733
            9   C1y C    15.7733  -12.1333
            10  C1y C    18.0600  -12.1333
            11  C1y C    21.7000  -17.8267
            12  C1c C    20.5333  -19.8800
            13  O1a O    22.8667  -15.7733
            14  C1y C    15.7733  -10.7333
            15  O2a O    14.5600  -12.7867
            16  C1y C    18.0600  -10.7333
            17  O1a O    19.2267  -12.8333
            18  N1b N    22.8667  -18.4800
            19  C1c C    19.3667  -20.5333
            20  O1a O    21.7467  -20.5333
            21  O2x O    16.8933  -10.0800
            22  C1b C    14.5600  -10.0800
            23  C1y C    13.3467  -13.5333
            24  O2a O    19.2267  -10.0800
            25  C5a C    24.0800  -17.8267
            26  O2a O    18.2000  -19.8800
            27  C1b C    19.3667  -21.8867
            28  C1y C    13.3467  -14.9333
            29  O2x O    12.1333  -12.8333
            30  C1y C    20.3933   -9.3800
            31  O5a O    24.0800  -16.4267
            32  C1a C    25.2467  -18.4333
            33  O1a O    18.2000  -22.5867
            34  C1y C    12.1333  -15.6333
            35  N1b N    14.5600  -15.6333
            36  C1y C    10.9200  -13.5333
            37  C1y C    20.3933   -8.0733
            38  C1y C    21.6067  -10.0800
            39  C1y C    10.9200  -14.9333
            40  O2a O    12.1333  -16.9400
            41  C5a C    14.5600  -16.9867
            42  C1b C     9.7067  -12.8800
            43  O2x O    21.6067   -7.3733
            44  C1b C    19.2267   -7.3733
            45  C1y C    22.7733   -9.3800
            46  O1a O    21.5600  -11.4333
            47  O1a O     9.7067  -15.6333
            48  C1a C    15.7733  -17.6867
            49  O5a O    13.3467  -17.6867
            50  C1y C    22.7733   -8.0733
            51  O1a O    23.9867  -10.0800
            52  O2a O    23.9867   -7.3733
            53  C1b C    25.2000   -8.0733
            54  C1c C    26.3200   -7.3267
            55  C1c C    27.4867   -8.0267
            56  N1b N    26.3200   -6.0200
            57  C2b C    28.7000   -7.3267
            58  O1a O    27.5333   -9.4267
            59  C5a C    27.4400   -5.2733
            60  C2b C    29.9133   -8.0267
            61  O5a O    27.4400   -3.9200
            62  R   R    28.6533   -5.9733
            63  C1b C    31.1267   -7.2800
            64  C1b C    32.3400   -7.9800
            65  C1b C    33.5533   -7.2800
            66  C1b C    34.7667   -7.9333
            67  C1b C    35.8867   -7.2333
            68  C1b C    37.1000   -7.9333
            69  C1b C    38.3133   -7.2333
            70  C1b C    39.5267   -7.8867
            71  C1b C    40.7400   -7.1867
            72  C1b C    41.9533   -7.8867
            73  C1b C    43.1667   -7.1867
            74  C1b C    44.3800   -7.8400
            75  C1a C    45.5000   -7.1400
            76  O6a O    17.1733  -15.8200
            77  O6a O    17.7333  -18.1533
            78  O1a O    18.0133   -8.0267
            79  O1a O    13.3467  -10.8267
            80  O1a O     8.5400  -13.6267
            81  C1y C    10.9200  -17.6400
            82  O2x O     9.7067  -16.9400
            83  C1y C     8.4933  -17.6400
            84  C1y C     8.4933  -19.0400
            85  C1y C     9.7067  -19.7400
            86  C1y C    10.9200  -19.0400
            87  C1b C     7.3267  -16.9400
            88  O1a O     7.3733  -19.7867
            89  O2a O     9.7067  -21.1400
            90  O1a O    12.1333  -19.7400
            91  O1a O     6.1133  -17.6400
            92  C1z C     8.0267  -22.1667
            93  O2x O     6.8600  -21.4667
            94  C1x C     8.0267  -23.5667
            95  C6a C     9.1933  -22.7733
            96  C1y C     5.6467  -22.1667
            97  C1y C     6.8600  -24.2667
            98  O6a O    10.3600  -22.0733
            99  O6a O     9.1933  -24.2200
            100 C1y C     5.6467  -23.5667
            101 O1a O     6.8600  -25.5733
            102 C1c C     4.4333  -21.4200
            103 C1c C     4.4333  -20.0200
            104 C1b C     3.1733  -19.2733
            105 O1a O     3.1733  -17.8267
            106 O1a O     3.1733  -22.1667
            107 O1a O     5.6467  -19.2733
            108 N1b N     4.4333  -24.2667
            109 C5a C     4.4333  -25.6667
            110 C1a C     3.1733  -26.3667
            111 O5a O     5.6467  -26.3667
            112 C1z C    15.3533  -23.4267
            113 O2x O    14.1400  -24.0800
            114 C1x C    16.4733  -24.1267
            115 C1y C    14.1400  -25.4800
            116 C1y C    16.4733  -25.4333
            117 C1y C    15.3067  -26.0867
            118 O1a O    17.5933  -26.1333
            119 C1c C    12.9267  -26.1333
            120 C1c C    11.7133  -25.4333
            121 C1b C    10.5000  -26.0867
            122 O1a O     9.2867  -25.4333
            123 O1a O    12.9267  -27.5800
            124 O1a O    11.7133  -24.0333
            125 N1b N    15.2600  -27.4867
            126 C5a C    16.4733  -28.2333
            127 C1a C    16.4733  -29.5867
            128 O5a O    17.6867  -27.5333
            129 C6a C    14.7000  -22.2133
            130 O6a O    15.3067  -21.0933
            131 O6a O    13.2533  -22.2133
 BOND      137
            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  40 1 #Up
            85   81  82 1
            86   82  83 1
            87   83  84 1
            88   84  85 1
            89   85  86 1
            90   81  86 1
            91   83  87 1 #Up
            92   84  88 1 #Up
            93   85  89 1 #Up
            94   86  90 1 #Down
            95   87  91 1
            96   92  93 1
            97   92  89 1 #Down
            98   92  94 1
            99   92  95 1 #Up
            100  93  96 1
            101  94  97 1
            102  95  98 1
            103  95  99 2
            104  96 100 1
            105  97 101 1 #Down
            106  97 100 1
            107  96 102 1
            108 102 103 1
            109 103 104 1
            110 104 105 1
            111 102 106 1 #Down
            112 103 107 1 #Up
            113 100 108 1 #Up
            114 108 109 1
            115 109 110 1
            116 109 111 2
            117 112  26 1 #Down
            118 112 113 1
            119 112 114 1
            120 113 115 1
            121 114 116 1
            122 115 117 1
            123 116 118 1 #Down
            124 116 117 1
            125 115 119 1
            126 119 120 1
            127 120 121 1
            128 121 122 1
            129 119 123 1 #Down
            130 120 124 1 #Up
            131 117 125 1 #Up
            132 125 126 1
            133 126 127 1
            134 126 128 2
            135 112 129 1 #Up
            136 129 130 1
            137 129 131 2

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