KEGG   COMPOUND: C04901
Entry
C04901                      Compound                               

Name
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R
Formula
C25H41N2O19R
Structure
Remark
Same as: G00026
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 7451
ChEBI: 16565
KCF data

ATOM        47
            1   O2a O    24.1885  -21.9803
            2   C1y C    24.1885  -20.6221
            3   C1y C    25.3595  -19.9196
            4   C1y C    22.9709  -19.9196
            5   C1y C    25.3595  -18.5613
            6   O1a O    26.5772  -20.6221
            7   C1y C    22.9709  -18.5613
            8   O1a O    22.0343  -20.7627
            9   O2a O    26.5304  -17.8588
            10  O2x O    24.1885  -17.8588
            11  C1b C    21.8000  -17.8588
            12  C1y C    26.5772  -16.5006
            13  O1a O    21.8000  -16.5006
            14  C1y C    27.7481  -15.7981
            15  C1y C    25.3595  -15.7981
            16  C1y C    27.7481  -14.4399
            17  N1b N    28.9658  -16.5942
            18  C1y C    25.3595  -14.4399
            19  O1a O    24.1885  -16.4537
            20  O2x O    26.5772  -13.7374
            21  O2a O    28.9190  -13.7374
            22  C5a C    28.9658  -17.9525
            23  C1b C    24.1885  -13.7374
            24  R   R    30.4646  -14.4866
            25  O5a O    27.7949  -18.6551
            26  C1a C    30.1367  -18.6551
            27  O1a O    24.1885  -12.3791
            28  C1z C    22.7367  -23.1044
            29  O2x O    21.5659  -22.4019
            30  C1x C    22.7367  -24.4626
            31  C6a C    23.9075  -23.7133
            32  C1y C    20.3482  -23.1044
            33  C1y C    21.5659  -25.1651
            34  O6a O    25.0785  -23.0107
            35  O6a O    23.9075  -25.1183
            36  C1y C    20.3482  -24.4626
            37  O1a O    21.5659  -26.5233
            38  C1c C    19.1304  -22.3550
            39  C1c C    19.1304  -20.9499
            40  C1b C    17.8659  -20.2006
            41  O1a O    17.8659  -18.7487
            42  O1a O    17.8659  -23.1044
            43  O1a O    20.3482  -20.2006
            44  N1b N    19.1304  -25.1651
            45  C5a C    19.1304  -26.6169
            46  C1a C    17.8659  -27.3195
            47  O5a O    20.3482  -27.3195
BOND        49
            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 #Up
            12   11  13 1
            13   12  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   15  19 1 #Up
            19   16  20 1
            20   16  21 1 #Down
            21   17  22 1
            22   18  23 1 #Up
            23   21  24 1
            24   22  25 2
            25   22  26 1
            26   23  27 1
            27    7  10 1
            28   18  20 1
            29   28  29 1
            30   28   1 1 #Down
            31   28  30 1
            32   28  31 1 #Up
            33   29  32 1
            34   30  33 1
            35   31  34 1
            36   31  35 2
            37   32  36 1
            38   33  37 1 #Down
            39   33  36 1
            40   32  38 1
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   38  42 1 #Down
            45   39  43 1 #Up
            46   36  44 1 #Up
            47   44  45 1
            48   45  46 1
            49   45  47 2

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