KEGG   RPAIR: RP04277Help
Entry
RP04277                     RPair                                  

Name
C00270_C04884
Compound
C00270  
N-Acetylneuraminate
C04884  
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide
Type
main
RDM
1
1     O1a-O2a:*-C1y:C1z-C1z
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       21
            1     1:C1y   7:C1y
            2     2:C1y  11:C1y
            3     3:O2x   3:O2x
            4     4:C1c  12:C1c
            5     5:C1y   8:C1y
            6     6:N1b  18:N1b
            7     7:C1z   1:C1z #M1
            8     8:C1c  19:C1c
            9     9:O1a  20:O1a
            10   10:C1x   4:C1x
            11   11:O1a  13:O1a
            12   12:C5a  25:C5a
            13   13:C6a   5:C6a
            14   14:O1a   2:O2a #R1
            15   15:C1b  27:C1b
            16   16:O1a  26:O1a
            17   17:C1a  32:C1a
            18   18:O5a  31:O5a
            19   19:O6a  76:O6a
            20   20:O6a  77:O6a
            21   21:O1a  33:O1a
            -       *     6: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  C04884
 ATOM      80
            1   C1z C    14.4315  -19.4262
            2   O2a O    11.9696  -17.0106
            3   O2x O    14.4315  -20.8198
            4   C1x C    15.5928  -18.7294
            5   C6a C    13.2238  -19.7514
            6   C1y C    11.9696  -15.7565
            7   C1y C    15.6394  -21.4700
            8   C1y C    16.8006  -19.4262
            9   C1y C    10.8082  -15.0597
            10  C1y C    13.1772  -15.0597
            11  C1y C    16.8006  -20.7732
            12  C1c C    15.6394  -22.8636
            13  O1a O    17.9619  -18.7294
            14  C1y C    10.8082  -13.6661
            15  O2a O     9.6006  -15.7100
            16  C1y C    13.1772  -13.6661
            17  O1a O    14.3387  -15.7565
            18  N1b N    17.9619  -21.4700
            19  C1c C    14.4779  -23.5140
            20  O1a O    16.8470  -23.5140
            21  O2x O    11.9696  -13.0158
            22  C1b C     9.6006  -13.0158
            23  C1y C     8.3928  -16.4532
            24  O2a O    14.3387  -13.0158
            25  C5a C    19.1696  -20.7732
            26  O1a O    13.3166  -22.8636
            27  C1b C    14.4779  -24.8611
            28  C1y C     8.3928  -17.8468
            29  O2x O     7.1850  -15.7565
            30  C1y C    15.5000  -12.3191
            31  O5a O    19.1696  -19.3797
            32  C1a C    20.3309  -21.4237
            33  O1a O    13.3166  -25.5579
            34  C1y C     7.1850  -18.5436
            35  N1b N     9.6006  -18.5436
            36  C1y C     5.9772  -16.4532
            37  C1y C    15.5000  -10.9719
            38  C1y C    16.7077  -13.0158
            39  C1y C     5.9772  -17.8468
            40  O1a O     7.1850  -19.8907
            41  C5a C     9.6006  -19.9372
            42  C1b C     4.7695  -15.8029
            43  O2x O    16.7077  -10.2751
            44  C1b C    14.3387  -10.2751
            45  C1y C    17.8690  -12.3191
            46  O1a O    16.6612  -14.3629
            47  O1a O     4.7695  -18.5436
            48  C1a C    10.8082  -20.6339
            49  O5a O     8.3928  -20.6339
            50  C1y C    17.8690  -10.9719
            51  O1a O    19.0767  -13.0158
            52  O2a O    19.0767  -10.2751
            53  C1b C    20.2845  -10.9719
            54  C1c C    21.4458  -10.2287
            55  C1c C    22.6535  -10.9255
            56  N1b N    21.4458   -8.8816
            57  C2b C    23.8614  -10.2287
            58  O1a O    22.7000  -12.3655
            59  C5a C    22.6071   -8.1384
            60  C2b C    25.0690  -10.9255
            61  O5a O    22.6071   -6.7912
            62  R   R    23.8148   -8.8351
            63  C1b C    26.2768  -10.1822
            64  C1b C    27.4846  -10.8790
            65  C1b C    28.6923  -10.1822
            66  C1b C    29.9001  -10.8326
            67  C1b C    31.1079  -10.1358
            68  C1b C    32.3156  -10.8326
            69  C1b C    33.5233  -10.1358
            70  C1b C    34.7311  -10.7861
            71  C1b C    35.9389  -10.0893
            72  C1b C    37.1466  -10.7861
            73  C1b C    38.3544  -10.0893
            74  C1b C    39.5621  -10.7397
            75  C1a C    40.7698  -10.0429
            76  O6a O    12.2483  -18.7759
            77  O6a O    12.8522  -21.0985
            78  O1a O    13.1202  -10.9515
            79  O1a O     8.4149  -13.7480
            80  O1a O     3.5838  -16.5351
 BOND      83
            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

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