KEGG   COMPOUND: C04885
Entry
C04885                      Compound                               
Name
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-galactosaminyl-R;
N-Acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-D-galactosaminyl-R
Formula
C25H41N2O19R
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 7437
ChEBI: 16901
LinkDB
KCF data

ATOM        47
            1   O2a O    19.4176  -17.6639
            2   C1y C    19.4176  -16.2874
            3   C1y C    20.6044  -15.5754
            4   C1y C    18.1836  -15.5754
            5   C1y C    20.6044  -14.1989
            6   O1a O    21.8385  -16.2874
            7   C1y C    18.1836  -14.1989
            8   O1a O    17.2344  -16.4299
            9   O2a O    21.7911  -13.4869
            10  O2x O    19.4176  -13.4869
            11  C1b C    16.9970  -13.4869
            12  C1y C    21.8385  -12.1105
            13  C1y C    23.0253  -11.3985
            14  C1y C    20.6044  -11.3985
            15  C1y C    23.0253  -10.0220
            16  N1b N    24.2593  -12.2053
            17  C1y C    20.6044  -10.0220
            18  O1a O    19.4176  -12.0628
            19  O2x O    21.8385   -9.3100
            20  O2a O    24.2118   -9.3100
            21  C1b C    19.4176   -9.3100
            22  C1z C    17.9463  -18.8032
            23  O2x O    16.7597  -18.0912
            24  C1x C    17.9463  -20.1797
            25  C6a C    19.1329  -19.4203
            26  C1y C    15.5256  -18.8032
            27  C1y C    16.7597  -20.8916
            28  O6a O    20.3196  -18.7082
            29  O6a O    19.1329  -20.8443
            30  C1y C    15.5256  -20.1797
            31  O1a O    16.7597  -22.2683
            32  N1b N    14.2914  -20.8916
            33  C5a C    14.2914  -22.3631
            34  C1a C    13.0098  -23.0752
            35  O5a O    15.5256  -23.0752
            36  O1a O    18.1810   -9.9968
            37  O1a O    15.7731  -14.1663
            38  C1c C    14.2686  -18.0836
            39  C1c C    13.0387  -18.7936
            40  C1b C    11.8089  -18.0836
            41  O1a O    10.5792  -18.7936
            42  C5a C    25.4617  -11.4802
            43  C1a C    26.6916  -12.1903
            44  O5a O    25.4481  -10.2733
            45  R   R    25.6319   -9.3100
            46  O1a O    14.2658  -16.6603
            47  O1a O    13.0383  -19.8892
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   12  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   14  18 1 #Up
            18   15  19 1
            19   15  20 1
            20   17  21 1 #Up
            21    7  10 1
            22   17  19 1
            23   22  23 1
            24   22   1 1 #Down
            25   22  24 1
            26   22  25 1 #Up
            27   23  26 1
            28   24  27 1
            29   25  28 1
            30   25  29 2
            31   26  30 1
            32   27  31 1 #Down
            33   27  30 1
            34   30  32 1 #Up
            35   32  33 1
            36   33  34 1
            37   33  35 2
            38   21  36 1
            39   11  37 1
            40   26  38 1 #Down
            41   38  39 1
            42   39  40 1
            43   40  41 1
            44   16  42 1
            45   42  43 1
            46   42  44 2
            47   20  45 1
            48   38  46 1 #Up
            49   39  47 1 #Down

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