KEGG   COMPOUND: C04886
Entry
C04886                      Compound                               
Name
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine
Formula
C25H42N2O19
Exact mass
674.2382
Mol weight
674.603
Structure
Remark
Same as: G00255
Reaction
Pathway
map03261  Virion - Influenza A virus
Enzyme
Other DBs
PubChem: 7438
ChEBI: 17725
PDB-CCD: 4U1[PDBj]
NIKKAJI: J842.303B
LinkDB
KCF data

ATOM        46
            1   O1a O    25.9764  -14.3892
            2   C1y C    22.4386  -15.0967
            3   O2x O    23.6179  -14.3892
            4   C1y C    22.4386  -16.4646
            5   C1y C    24.7972  -15.0967
            6   C1y C    23.6179  -17.1250
            7   O2a O    21.2594  -17.1250
            8   C1y C    24.7972  -16.4646
            9   O1a O    23.6179  -18.4929
            10  N1b N    25.9296  -17.2186
            11  C1b C    21.2122  -14.3892
            12  C1b C    16.2593  -17.3136
            13  C1y C    17.4386  -17.9742
            14  O2x O    18.5707  -17.3136
            15  C1y C    17.4386  -19.3420
            16  C1y C    19.7971  -17.9742
            17  C1y C    18.5707  -20.0024
            18  O1a O    16.2593  -20.0024
            19  C1y C    19.7971  -19.3420
            20  O1a O    18.6178  -21.3704
            21  O1a O    20.9764  -20.0024
            22  O1a O    19.9858  -15.0967
            23  O2a O    15.0329  -18.0212
            24  C1z C    13.8064  -17.3136
            25  O2x O    12.6272  -16.6061
            26  C1x C    13.8064  -18.6817
            27  C1y C    11.4007  -17.3136
            28  C1y C    12.6272  -19.3893
            29  C1y C    11.4007  -18.6817
            30  O1a O    12.6272  -20.7572
            31  C1c C    10.1743  -16.5590
            32  C1c C    10.1743  -15.1438
            33  C1b C     8.9007  -14.3892
            34  O1a O     8.9007  -12.9268
            35  O1a O     8.9007  -17.3136
            36  O1a O    11.4007  -14.2492
            37  N1b N    10.1743  -19.3893
            38  C5a C    10.1743  -20.8514
            39  C1a C     8.9007  -21.5590
            40  O5a O    11.4007  -21.5590
            41  C6a C    14.5139  -16.2272
            42  O6a O    15.9290  -16.2272
            43  O6a O    13.8064  -15.0009
            44  C5a C    25.9091  -18.6274
            45  O5a O    24.6835  -19.3115
            46  C1a C    27.1145  -19.3468
BOND        48
            1     6   8 1
            2     2  11 1 #Up
            3     2   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1
            9     5   1 1 #Up
            10    6   9 1 #Up
            11    8  10 1 #Down
            12   13  12 1 #Up
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1 #Up
            18   16  19 1
            19   16   7 1 #Up
            20   17  20 1 #Up
            21   19  21 1 #Down
            22   17  19 1
            23   11  22 1
            24   12  23 1
            25   24  25 1
            26   24  26 1
            27   25  27 1
            28   26  28 1
            29   27  29 1
            30   28  30 1 #Down
            31   28  29 1
            32   27  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   31  35 1 #Down
            37   32  36 1 #Up
            38   29  37 1 #Up
            39   37  38 1
            40   38  39 1
            41   38  40 2
            42   24  41 1 #Up
            43   24  23 1 #Down
            44   41  42 2
            45   41  43 1
            46   10  44 1
            47   44  45 2
            48   44  46 1

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