KEGG   RPAIR: RP03641Help
Entry
RP03641                     RPair                                  

Name
C00270_C06128
Compound
C00270  
N-Acetylneuraminate
C06128  
GM4
Type
main
RDM
1
1     O1a-O2a:*-C1y:C1z-C1z
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       21
            1     1:C1y  40:C1y
            2     2:C1y  44:C1y
            3     3:O2x  37:O2x
            4     4:C1c  46:C1c
            5     5:C1y  41:C1y
            6     6:N1b  52:N1b
            7     7:C1z  36:C1z #M1
            8     8:C1c  47:C1c
            9     9:O1a  50:O1a
            10   10:C1x  38:C1x
            11   11:O1a  45:O1a
            12   12:C5a  53:C5a
            13   13:C6a  39:C6a
            14   14:O1a  25:O2a #R1
            15   15:C1b  48:C1b
            16   16:O1a  51:O1a
            17   17:C1a  54:C1a
            18   18:O5a  55:O5a
            19   19:O6a  42:O6a
            20   20:O6a  43:O6a
            21   21:O1a  49:O1a
            -       *    26:C1y #D1
ENTRY1      
 COMPOUND  C00270
 ATOM      21
            1   C1y C    24.2148  -21.4379
            2   C1y C    24.2148  -22.8420
            3   O2x O    25.4324  -20.7447
            4   C1c C    22.9971  -20.7447
            5   C1y C    25.4324  -23.5469
            6   N1b N    22.9971  -23.5469
            7   C1z C    26.6383  -21.4379
            8   C1c C    23.0029  -19.3405
            9   O1a O    21.7852  -21.4379
            10  C1x C    26.6383  -22.8420
            11  O1a O    25.4324  -24.9450
            12  C5a C    23.0029  -24.9391
            13  C6a C    27.6287  -20.4418
            14  O1a O    27.9840  -21.7991
            15  C1b C    21.7852  -18.6357
            16  O1a O    24.2148  -18.6357
            17  C1a C    21.7969  -25.6382
            18  O5a O    24.2088  -25.6325
            19  O6a O    28.9861  -20.7971
            20  O6a O    27.2499  -19.0902
            21  O1a O    21.7852  -17.2374
 BOND      21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            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  C06128
 ATOM      55
            1   O2a O    18.1790  -20.3279
            2   C1b C    19.3900  -21.0265
            3   C1c C    20.5542  -20.2813
            4   C1c C    21.7652  -20.9799
            5   N1b N    20.5542  -18.9307
            6   C2b C    22.9760  -20.2813
            7   O1a O    21.8117  -22.4237
            8   C5a C    21.7186  -18.1855
            9   C2b C    24.1869  -20.9799
            10  O5a O    21.7186  -16.8350
            11  R   R    22.9294  -18.8841
            12  C1b C    25.3978  -20.2348
            13  C1b C    26.6087  -20.9334
            14  C1b C    27.8195  -20.2348
            15  C1b C    29.0305  -20.8868
            16  C1b C    30.2413  -20.1882
            17  C1b C    31.4522  -20.8868
            18  C1b C    32.6631  -20.1882
            19  C1b C    33.8740  -20.8402
            20  C1b C    35.0848  -20.1416
            21  C1b C    36.2958  -20.8402
            22  C1b C    37.5066  -20.1416
            23  C1b C    38.7175  -20.7936
            24  C1a C    39.9284  -20.0951
            25  O2a O    15.7107  -24.4263
            26  C1y C    15.7573  -23.0291
            27  C1y C    16.9682  -22.3770
            28  C1y C    14.5464  -22.3305
            29  C1y C    16.9682  -21.0265
            30  O1a O    17.9462  -22.8894
            31  C1y C    14.5464  -20.9334
            32  O1a O    13.3355  -23.3556
            33  O2x O    15.8038  -20.2813
            34  C1b C    13.3821  -20.2348
            35  O1a O    12.2178  -20.9334
            36  C1z C    14.0341  -25.3577
            37  O2x O    12.8698  -24.6591
            38  C1x C    14.0341  -26.7549
            39  C6a C    15.2450  -25.9632
            40  C1y C    11.6589  -25.3577
            41  C1y C    12.8698  -27.4535
            42  O6a O    16.4093  -25.2646
            43  O6a O    15.2450  -27.4069
            44  C1y C    11.6589  -26.7549
            45  O1a O    12.8698  -28.8040
            46  C1c C    10.4481  -24.6125
            47  C1c C    10.4481  -23.2153
            48  C1b C     9.1906  -22.4703
            49  O1a O     9.1906  -21.0265
            50  O1a O     9.1906  -25.3577
            51  O1a O    11.6589  -22.4703
            52  N1b N    10.4481  -27.4535
            53  C5a C    10.4481  -28.8973
            54  C1a C     9.1906  -29.5958
            55  O5a O    11.6589  -29.5958
 BOND      56
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1 #Down
            5     4   6 1
            6     4   7 1 #Up
            7     5   8 1
            8     6   9 2
            9     8  10 2
            10    8  11 1
            11    9  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   26  25 1 #Up
            25   26  27 1
            26   26  28 1
            27   27  29 1
            28   27  30 1 #Down
            29   28  31 1
            30   28  32 1 #Up
            31   29   1 1 #Up
            32   29  33 1
            33   31  34 1 #Up
            34   34  35 1
            35   31  33 1
            36   36  37 1
            37   36  25 1 #Down
            38   36  38 1
            39   36  39 1 #Up
            40   37  40 1
            41   38  41 1
            42   39  42 1
            43   39  43 2
            44   40  44 1
            45   41  45 1 #Down
            46   41  44 1
            47   40  46 1
            48   46  47 1
            49   47  48 1
            50   48  49 1
            51   46  50 1 #Down
            52   47  51 1 #Up
            53   44  52 1 #Up
            54   52  53 1
            55   53  54 1
            56   53  55 2

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