KEGG   COMPOUND: C04830
Entry
C04830                      Compound                               
Name
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol
Formula
C69H115NO17P2
Exact mass
1291.764
Mol weight
1292.5954
Structure
Remark
Same as: G10501
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C04830  beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol
Other DBs
PubChem: 7391
ChEBI: 132876
3DMET: B01794
NIKKAJI: J2.754.769I
LinkDB
KCF data

ATOM        89
            1   C1b C    22.5400  -12.1100
            2   C1b C    21.4900  -12.8100
            3   C2c C    20.2300  -12.1100
            4   C1a C    20.2300  -10.7100
            5   C1b C    19.0400  -14.2100
            6   C2b C    19.0400  -12.8100
            7   O2b O    17.2900  -15.2600
            8   C1a C    36.2600  -12.8100
            9   C2c C    35.0000  -12.1100
            10  C2b C    33.7400  -12.8100
            11  C1a C    35.0000  -10.7100
            12  C1b C    32.4800  -12.1100
            13  C1b C    31.2900  -12.8100
            14  C2c C    30.0300  -12.1100
            15  C2b C    28.7700  -12.8100
            16  C1a C    30.0300  -10.7100
            17  C1b C    27.5100  -12.1100
            18  C1b C    26.3200  -12.8100
            19  C2c C    25.0600  -12.1100
            20  C2b C    23.8000  -12.8100
            21  C1a C    25.0600  -10.7100
            22  P1b P    15.8200  -15.2600
            23  O2c O    14.3500  -15.2600
            24  O1c O    15.8200  -13.7900
            25  O1c O    15.8200  -16.7300
            26  P1b P    12.8800  -15.2600
            27  O2b O    11.4100  -15.2600
            28  O1c O    12.8800  -13.7900
            29  O1c O    12.8800  -16.7300
            30  C1y C    10.1976  -15.9600
            31  O2x O     9.0021  -15.2696
            32  C1y C     7.7896  -15.9695
            33  C1y C     7.7894  -17.3695
            34  C1y C     8.9849  -18.0599
            35  C1y C    10.1974  -17.3600
            36  C1b C     6.5771  -15.2695
            37  O1a O     8.9849  -19.4599
            38  O2a O     6.5770  -18.0695
            39  N1b N    11.4098  -18.0600
            40  O1a O     5.3647  -15.9695
            41  C5a C    11.4098  -19.4600
            42  O5a O    10.1974  -20.1600
            43  C1a C    12.6223  -20.1600
            44  C1y C     5.3646  -18.7695
            45  O2x O     4.1674  -18.0780
            46  C1y C     2.9548  -18.7778
            47  C1y C     2.9545  -20.1778
            48  C1y C     4.1517  -20.8693
            49  C1y C     5.3643  -20.1695
            50  C1b C     1.7424  -18.0778
            51  O1a O     4.1517  -22.2693
            52  O1a O     1.7424  -16.6778
            53  O1a O     1.7421  -20.8778
            54  O1a O     6.5767  -20.8695
            55  C1b C    21.4900  -12.8100
            56  C2c C    20.2300  -12.1100
            57  C1a C    20.2300  -10.7100
            58  C1b C    19.0400  -14.2100
            59  C2b C    19.0400  -12.8100
            60  C1b C    21.4900  -12.8100
            61  C2c C    20.2300  -12.1100
            62  C1a C    20.2300  -10.7100
            63  C1b C    19.0400  -14.2100
            64  C2b C    19.0400  -12.8100
            65  C1b C    21.4900  -12.8100
            66  C2c C    20.2300  -12.1100
            67  C1a C    20.2300  -10.7100
            68  C1b C    19.0400  -14.2100
            69  C2b C    19.0400  -12.8100
            70  C1b C    21.4900  -12.8100
            71  C2c C    20.2300  -12.1100
            72  C1a C    20.2300  -10.7100
            73  C1b C    19.0400  -14.2100
            74  C2b C    19.0400  -12.8100
            75  C1b C    21.4900  -12.8100
            76  C2c C    20.2300  -12.1100
            77  C1a C    20.2300  -10.7100
            78  C1b C    19.0400  -14.2100
            79  C2b C    19.0400  -12.8100
            80  C1b C    21.4900  -12.8100
            81  C2c C    20.2300  -12.1100
            82  C1a C    20.2300  -10.7100
            83  C1b C    19.0400  -14.2100
            84  C2b C    19.0400  -12.8100
            85  C1b C    21.4900  -12.8100
            86  C2c C    20.2300  -12.1100
            87  C1a C    20.2300  -10.7100
            88  C1b C    19.0400  -14.2100
            89  C2b C    19.0400  -12.8100
BOND        90
            1    12  13 1
            2    13  14 1
            3    14  15 2
            4    14  16 1
            5    15  17 1
            6    10  12 1
            7     8   9 1
            8     9  10 2
            9    17  18 1
            10   18  19 1
            11   19  20 2
            12   19  21 1
            13   20   1 1
            14    9  11 1
            15    7  22 1
            16   22  23 1
            17   22  24 1
            18   22  25 2
            19   23  26 1
            20   26  27 1
            21   26  28 1
            22   26  29 2
            23   30  27 1 #Down
            24   30  31 1
            25   31  32 1
            26   32  33 1
            27   33  34 1
            28   34  35 1
            29   30  35 1
            30   32  36 1 #Up
            31   34  37 1 #Up
            32   33  38 1 #Down
            33   35  39 1 #Down
            34   36  40 1
            35   39  41 1
            36   41  42 2
            37   41  43 1
            38   44  38 1 #Up
            39   44  45 1
            40   45  46 1
            41   46  47 1
            42   47  48 1
            43   48  49 1
            44   44  49 1
            45   46  50 1 #Up
            46   48  51 1 #Up
            47   50  52 1
            48   47  53 1 #Down
            49   49  54 1 #Down
            50    1   2 1
            51    3   4 1
            52    3   2 1
            53    5   6 1
            54    6   3 2
            55    5  55 1
            56   56  57 1
            57   56  55 1
            58   58  59 1
            59   59  56 2
            60   58  60 1
            61   61  62 1
            62   61  60 1
            63   63  64 1
            64   64  61 2
            65   63  65 1
            66   66  67 1
            67   66  65 1
            68   68  69 1
            69   69  66 2
            70   68  70 1
            71   71  72 1
            72   71  70 1
            73   73  74 1
            74   74  71 2
            75   73  75 1
            76   76  77 1
            77   76  75 1
            78   78  79 1
            79   79  76 2
            80   78  80 1
            81   81  82 1
            82   81  80 1
            83   83  84 1
            84   84  81 2
            85   83  85 1
            86   86  87 1
            87   86  85 1
            88   88  89 1
            89   89  86 2
            90   88   7 1
BRACKET     1    18.7600  -15.3300   18.7600  -10.0800
            1    21.7000  -10.0800   21.7000  -15.3300
            1  8
 ORIGINAL  1    2   3   4   5   6
 REPEAT    1   55  56  57  58  59  60  61  62  63  64  65  66  67  68  69  70
            1   71  72  73  74  75  76  77  78  79  80  81  82  83  84  85  86
            1   87  88  89

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