KEGG   RPAIR: RP00687Help
Entry
RP00687                     RPair                                  

Name
C01290_C04730
Compound
C01290  
beta-D-Galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide
C04730  
GM3
Type
main
RDM
1
1     O1a-O2a:*-C1z:C1y-C1y
RClass
Related pair
Reaction
Enzyme
2.4.99.9     3.2.1.18
KCF data Show

ALIGN       46
            1     1:C1y  12:C1y
            2     2:C1y  14:C1y
            3     3:O2a   9:O2a
            4     4:C1y  15:C1y
            5     5:O2x  16:O2x
            6     6:C1b  17:C1b
            7     7:C1y   5:C1y
            8     8:C1y  18:C1y
            9     9:O1a  19:O1a
            10   10:C1y  20:C1y
            11   11:O1a  21:O1a
            12   12:O2x  10:O2x
            13   13:C1y   3:C1y
            14   14:O1a  22:O1a
            15   15:O2a  23:O2a
            16   16:C1y   7:C1y
            17   17:C1y   2:C1y #M1
            18   18:O1a   6:O1a
            19   19:C1b  24:C1b
            20   20:C1y   4:C1y
            21   21:C1b  11:C1b
            22   22:O1a   1:O2a #R1
            23   23:C1c  25:C1c
            24   24:O1a   8:O1a
            25   25:O1a  13:O1a
            26   26:C1c  26:C1c
            27   27:N1b  27:N1b
            28   28:C2b  28:C2b
            29   29:O1a  29:O1a
            30   30:C5a  30:C5a
            31   31:C2b  31:C2b
            32   32:O5a  32:O5a
            33   33:R    33:R
            34   34:C1b  34:C1b
            35   35:C1b  35:C1b
            36   36:C1b  36:C1b
            37   37:C1b  37:C1b
            38   38:C1b  38:C1b
            39   39:C1b  39:C1b
            40   40:C1b  40:C1b
            41   41:C1b  41:C1b
            42   42:C1b  42:C1b
            43   43:C1b  43:C1b
            44   44:C1b  44:C1b
            45   45:C1b  45:C1b
            46   46:C1a  46:C1a
            -       *    47:C1z #D1
ENTRY1      
 COMPOUND  C01290
 ATOM      46
            1   C1y C    15.9666  -18.9599
            2   C1y C    15.9337  -17.5704
            3   O2a O    14.6552  -19.6363
            4   C1y C    17.0731  -19.6917
            5   O2x O    17.1379  -16.9034
            6   C1b C    14.7200  -16.8477
            7   C1y C    13.4603  -20.3126
            8   C1y C    18.3146  -19.0155
            9   O1a O    17.0361  -21.0907
            10  C1y C    18.3516  -17.6260
            11  O1a O    13.5250  -17.5795
            12  O2x O    12.2464  -19.5899
            13  C1y C    13.4138  -21.7206
            14  O1a O    19.5096  -19.7567
            15  O2a O    19.5838  -16.9684
            16  C1y C    11.0238  -20.2570
            17  C1y C    12.1817  -22.3786
            18  O1a O    14.4327  -22.2303
            19  C1b C    20.8066  -17.6631
            20  C1y C    10.9958  -21.6650
            21  C1b C     9.8285  -19.5342
            22  O1a O    12.1446  -23.7866
            23  C1c C    22.0202  -16.9404
            24  O1a O     9.7361  -22.3415
            25  O1a O     8.6335  -20.2570
            26  C1c C    23.2614  -17.6351
            27  N1b N    22.0108  -15.5323
            28  C2b C    24.4844  -16.9128
            29  O1a O    23.2708  -19.0435
            30  C5a C    23.2152  -14.8191
            31  C2b C    25.7073  -17.6074
            32  O5a O    23.2666  -13.4107
            33  R   R    24.4473  -15.5044
            34  C1b C    26.9207  -16.8942
            35  C1b C    28.1529  -17.5889
            36  C1b C    29.3758  -16.8663
            37  C1b C    30.5987  -17.5610
            38  C1b C    31.8216  -16.8386
            39  C1b C    33.0537  -17.5242
            40  C1b C    34.2672  -16.8107
            41  C1b C    35.4993  -17.5056
            42  C1b C    36.7128  -16.7921
            43  C1b C    37.9543  -17.4777
            44  C1b C    39.1678  -16.7736
            45  C1b C    40.4001  -17.4591
            46  C1a C    41.6137  -16.7459
 BOND      47
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1 #Up
            15   12  16 1
            16   13  17 1
            17   13  18 1 #Down
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1 #Up
            22   19  23 1
            23   20  24 1 #Up
            24   21  25 1
            25   23  26 1
            26   23  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    8  10 1
            47   17  20 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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