KEGG   RPAIR: RP00022Help
Entry
RP00022                     RPair                                  

Name
C00055_C00128
Compound
C00055  
CMP
C00128  
CMP-N-acetylneuraminate
Type
main
RDM
1
1     O1c-O2b:*-C1z:P1b-P1b
RClass
Related pair
Reaction
Enzyme
2.4.99.1     2.4.99.2     2.4.99.4     2.4.99.5     2.4.99.6     
2.4.99.7     2.4.99.8     2.4.99.9     2.4.99.10    2.4.99.11    
2.4.99.-
KCF data Show

ALIGN       21
            1     1:C1y  20:C1y
            2     2:N4y  23:N4y
            3     3:O2x  18:O2x
            4     4:C1y  21:C1y
            5     5:C8y  25:C8y
            6     6:C8x  26:C8x
            7     7:C1y  17:C1y
            8     8:C1y  19:C1y
            9     9:O1a  24:O1a
            10   10:N5x  27:N5x
            11   11:O5x  28:O5x
            12   12:C8x  29:C8x
            13   13:C1b  16:C1b
            14   14:O1a  22:O1a
            15   15:C8y  30:C8y
            16   16:O2b  13:O2b
            17   17:N1a  31:N1a
            18   18:P1b   8:P1b #M1
            19   19:O1c  14:O1c
            20   20:O1c   4:O2b #R1
            21   21:O1c  15:O1c
            -       *     1:C1z #D1
ENTRY1      
 COMPOUND  C00055
 ATOM      21
            1   C1y C     0.5000    0.1138
            2   N4y N     1.2931    0.3759
            3   O2x O    -0.1414    0.5897
            4   C1y C     0.2586   -0.6966
            5   C8y C     1.9138   -0.1759
            6   C8x C     1.4655    1.1828
            7   C1y C    -0.8172    0.0966
            8   C1y C    -0.5690   -0.6966
            9   O1a O     0.7448   -1.3621
            10  N5x N     2.7034    0.0828
            11  O5x O     1.7483   -0.9862
            12  C8x C     2.2483    1.4483
            13  C1b C    -1.6069    0.3517
            14  O1a O    -1.0621   -1.3586
            15  C8y C     2.8724    0.8966
            16  O2b O    -2.2172   -0.2034
            17  N1a N     3.6586    1.1517
            18  P1b P    -3.0414   -0.2034
            19  O1c O    -3.0448   -1.0276
            20  O1c O    -3.8655   -0.2034
            21  O1c O    -3.0448    0.6207
 BOND      22
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21    7   8 1
            22   12  15 1
ENTRY2      
 COMPOUND  C00128
 ATOM      41
            1   C1z C    18.7470  -16.1154
            2   O2x O    17.5923  -15.4468
            3   C1x C    18.7470  -17.4441
            4   O2b O    20.8660  -17.7078
            5   C6a C    19.8882  -15.4468
            6   C1y C    16.4394  -16.1154
            7   C1y C    17.5923  -18.1300
            8   P1b P    22.2018  -17.7078
            9   O6a O    19.8589  -14.1240
            10  O6a O    21.0299  -16.1154
            11  C1y C    16.4394  -17.4441
            12  O1a O    17.5982  -19.4471
            13  O2b O    23.5190  -17.7078
            14  O1c O    22.2018  -19.1720
            15  O1c O    22.2018  -16.1680
            16  C1b C    24.8490  -17.7078
            17  C1y C    26.1079  -18.1009
            18  O2x O    27.1798  -17.3208
            19  C1y C    26.5299  -19.3599
            20  C1y C    28.2689  -18.1183
            21  C1y C    27.8773  -19.3599
            22  O1a O    25.7685  -20.4376
            23  N4y N    29.1130  -15.8979
            24  O1a O    28.6560  -20.4259
            25  C8y C    27.9527  -15.2248
            26  C8x C    30.2721  -15.2481
            27  N5x N    27.9121  -13.8950
            28  O5x O    26.8112  -15.8803
            29  C8x C    30.2721  -13.9008
            30  C8y C    29.1188  -13.2276
            31  N1a N    29.1188  -11.9034
            32  C1c C    15.2278  -15.3949
            33  C1c C    15.2327  -14.0033
            34  C1b C    14.0300  -13.3034
            35  O1a O    14.0348  -11.9118
            36  N1b N    15.0148  -18.4148
            37  O1a O    16.4305  -13.3117
            38  O1a O    14.0127  -16.0832
            39  C5a C    15.0145  -19.8074
            40  O5a O    16.2205  -20.5032
            41  C1a C    13.8094  -20.5032
 BOND      43
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1 #Down
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15   13  16 1
            16   17  16 1 #Up
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1 #Down
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 2
            29   27  30 2
            30   30  31 1
            31    7  11 1
            32   20  21 1
            33   29  30 1
            34    6  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   11  36 1 #Up
            39   33  37 1 #Up
            40   32  38 1 #Down
            41   36  39 1
            42   39  40 2
            43   39  41 1

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