KEGG   COMPOUND: C04887
Entry
C04887                      Compound                               

Name
alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R
Formula
C28H45N2O22R
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 7439
ChEBI: 17483
KCF data

ATOM        53
            1   C1z C    25.5248  -19.0152
            2   O2x O    24.3582  -18.3153
            3   O2a O    26.9713  -17.8953
            4   C1x C    25.5248  -20.3684
            5   C6a C    26.6913  -19.6218
            6   C1y C    23.1450  -19.0152
            7   C1y C    26.9713  -16.5420
            8   C1y C    24.3582  -21.0684
            9   O6a O    27.8579  -18.9218
            10  O6a O    26.6913  -21.0217
            11  C1y C    23.1450  -20.3684
            12  C1y C    25.7581  -15.8421
            13  C1y C    28.1379  -15.8421
            14  O1a O    24.3582  -22.4216
            15  C1y C    25.7581  -14.4889
            16  O1a O    24.5915  -16.4954
            17  C1y C    28.1379  -14.4889
            18  O2x O    26.9713  -13.8357
            19  C1b C    24.5915  -13.8357
            20  O2a O    29.3045  -13.7890
            21  R   R    30.4710  -14.4422
            22  C1c C    21.9317  -18.2686
            23  C1c C    21.9317  -16.8687
            24  O2a O    20.6718  -16.1221
            25  O1a O    20.6718  -19.0152
            26  C1b C    23.1450  -16.1221
            27  N1b N    21.9317  -21.0684
            28  C5a C    21.9317  -22.5149
            29  C1a C    20.6718  -23.2149
            30  O5a O    23.1450  -23.2149
            31  O1a O    29.3978  -16.5420
            32  O1a O    24.5915  -12.4358
            33  O1a O    23.1450  -14.7222
            34  C1z C    19.4586  -15.4221
            35  O2x O    18.2920  -14.7222
            36  C1x C    19.4586  -16.7754
            37  C1y C    17.0788  -15.4221
            38  C1y C    18.2920  -17.4754
            39  C1y C    17.0788  -16.7754
            40  O1a O    18.2920  -18.6885
            41  C1c C    15.8656  -14.6756
            42  C1c C    15.8656  -13.2757
            43  C1b C    14.6057  -12.5291
            44  O1a O    14.6057  -11.0825
            45  O1a O    14.6057  -15.4221
            46  O1a O    17.0788  -12.5291
            47  N1b N    15.8656  -17.4754
            48  C5a C    15.8656  -18.9218
            49  C1a C    14.6057  -19.6218
            50  O5a O    17.0788  -19.6218
            51  C6a C    20.1585  -14.2089
            52  O6a O    21.5584  -14.2085
            53  O6a O    19.4582  -12.9968
BOND        55
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     7   3 1 #Up
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 1 #Down
            14   12  15 1
            15   12  16 1 #Up
            16   13  17 1
            17   15  18 1
            18   15  19 1 #Up
            19   17  20 1 #Up
            20   20  21 1
            21    8  11 1
            22   17  18 1
            23    6  22 1
            24   22  23 1
            25   23  24 1 #Down
            26   22  25 1 #Down
            27   23  26 1
            28   11  27 1 #Up
            29   27  28 1
            30   28  29 1
            31   28  30 2
            32   13  31 1 #Down
            33   19  32 1
            34   26  33 1
            35   34  35 1
            36   34  36 1
            37   35  37 1
            38   36  38 1
            39   37  39 1
            40   38  40 1 #Down
            41   38  39 1
            42   37  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   41  45 1 #Down
            47   42  46 1 #Up
            48   39  47 1 #Up
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   34  51 1 #Up
            53   34  24 1 #Down
            54   51  52 2
            55   51  53 1

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