KEGG   COMPOUND: C00528
Entry
C00528                      Compound                               
Name
Glycopeptide
Formula
C36H64N8O17
Exact mass
880.4389
Mol weight
880.9368
Structure
Other DBs
PubChem: 3811
ChEBI: 141615
NIKKAJI: J2.729.651C
LinkDB
KCF data

ATOM        61
            1   C1y C    21.3736  -17.0601
            2   C1y C    22.6231  -17.7816
            3   C1y C    23.8442  -17.0769
            4   C1y C    23.8443  -15.6671
            5   O2x O    22.5947  -14.9454
            6   C1y C    21.3737  -15.6503
            7   C1b C    20.1815  -14.9616
            8   O2a O    22.6229  -19.1858
            9   O1a O    25.0890  -14.9484
            10  N1b N    25.0838  -17.7931
            11  O1a O    18.9820  -15.6540
            12  C1c C    23.8248  -19.8909
            13  C5a C    23.8248  -21.3008
            14  C1a C    25.0311  -19.1294
            15  O5a O    22.5870  -22.0156
            16  N1b N    25.0288  -21.9959
            17  C1c C    26.2215  -21.3008
            18  C5a C    27.4425  -22.0057
            19  N1b N    28.6634  -21.3008
            20  C1c C    29.8844  -22.0057
            21  C1b C    31.1054  -21.3008
            22  C1b C    32.3263  -22.0057
            23  C5a C    33.5472  -21.3008
            24  N1b N    34.7683  -22.0057
            25  C1c C    35.9892  -21.3008
            26  C1a C    26.2187  -20.2435
            27  O5a O    27.4425  -23.4153
            28  C5a C    29.8844  -23.4154
            29  O5a O    28.6485  -24.1290
            30  N1a N    31.0904  -24.1118
            31  O5a O    33.5472  -19.8910
            32  C5a C    37.2163  -22.0092
            33  C1b C    35.9892  -19.8909
            34  N1b N    38.4232  -21.3123
            35  O5a O    37.2163  -23.4154
            36  C1c C    39.6175  -22.0017
            37  C6a C    40.8179  -21.3083
            38  O6a O    42.0153  -21.9997
            39  O6a O    40.8179  -19.8912
            40  C1a C    39.6177  -23.4153
            41  C1b C    37.2163  -19.1824
            42  C1b C    37.2163  -17.7726
            43  C1b C    38.4202  -17.0773
            44  N1a N    38.4202  -15.6675
            45  C1b C    26.2889  -17.0976
            46  C1a C    27.4774  -17.7842
            47  C1y C    16.4710  -18.4810
            48  C1y C    16.4710  -19.8909
            49  C1y C    17.6919  -20.5959
            50  C1y C    18.9129  -19.8909
            51  C1y C    18.9129  -18.4810
            52  O2x O    17.6919  -17.7761
            53  C1b C    15.2501  -17.7761
            54  O2a O    20.1527  -17.7650
            55  O1a O    17.6919  -21.8645
            56  O1a O    15.2501  -20.5959
            57  N1b N    20.1527  -20.6069
            58  O1a O    14.0461  -18.4713
            59  C5a C    20.1527  -22.0168
            60  O5a O    18.9247  -22.7259
            61  C1a C    21.3568  -22.7119
BOND        62
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Up
            8     2   8 1 #Up
            9     4   9 1
            10    3  10 1 #Down
            11    7  11 1
            12    8  12 1
            13   12  13 1
            14   12  14 1
            15   13  15 2
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   17  26 1 #Down
            27   18  27 2
            28   20  28 1 #Down
            29   28  29 2
            30   28  30 1
            31   23  31 2
            32   25  32 1
            33   25  33 1 #Down
            34   32  34 1
            35   32  35 2
            36   34  36 1
            37   36  37 1
            38   37  38 1
            39   37  39 2
            40   36  40 1 #Down
            41   33  41 1
            42   41  42 1
            43   42  43 1
            44   43  44 1
            45   10  45 1
            46   45  46 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 1
            51   51  52 1
            52   47  52 1
            53   47  53 1 #Up
            54   51  54 1 #Up
            55   49  55 1 #Up
            56   48  56 1 #Down
            57   50  57 1 #Down
            58   53  58 1
            59   57  59 1
            60   59  60 2
            61   59  61 1
            62    1  54 1 #Down

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