KEGG   COMPOUND: C20622
Entry
C20622                      Compound                               
Name
beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol
Formula
C77H128N2O22P2
Exact mass
1494.8434
Mol weight
1495.7879
Structure
Reaction
Enzyme
2.4.1.122       2.4.1.308
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C20622  beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol
Other DBs
PubChem: 172232346
KCF data

ATOM        103
            1   C1b C    23.9400  -11.3400
            2   C1b C    22.8900  -12.0400
            3   C2c C    21.6300  -11.3400
            4   C1a C    21.6300   -9.9400
            5   C1b C    20.4400  -13.4400
            6   C2b C    20.4400  -12.0400
            7   O2b O    18.6900  -14.4900
            8   C1a C    37.6600  -12.0400
            9   C2c C    36.4000  -11.3400
            10  C2b C    35.1400  -12.0400
            11  C1a C    36.4000   -9.9400
            12  C1b C    33.8800  -11.3400
            13  C1b C    32.6900  -12.0400
            14  C2c C    31.4300  -11.3400
            15  C2b C    30.1700  -12.0400
            16  C1a C    31.4300   -9.9400
            17  C1b C    28.9100  -11.3400
            18  C1b C    27.7200  -12.0400
            19  C2c C    26.4600  -11.3400
            20  C2b C    25.2000  -12.0400
            21  C1a C    26.4600   -9.9400
            22  P1b P    17.2200  -14.4900
            23  O2c O    15.7500  -14.4900
            24  O1c O    17.2200  -13.0200
            25  O1c O    17.2200  -15.9600
            26  P1b P    14.2800  -14.4900
            27  O2b O    12.8100  -14.4900
            28  O1c O    14.2800  -13.0200
            29  O1c O    14.2800  -15.9600
            30  C1y C    11.6200  -15.1900
            31  O2x O    10.4300  -14.4900
            32  C1y C     9.1700  -15.1900
            33  C1y C     9.1700  -16.5900
            34  C1y C    10.3600  -17.2900
            35  C1y C    11.6200  -16.5900
            36  C1b C     7.9800  -14.4900
            37  O2a O    10.3600  -18.6900
            38  O1a O     7.9800  -17.2900
            39  N1b N    12.8100  -17.2900
            40  O1a O     6.7900  -15.1900
            41  C5a C    12.8100  -18.6900
            42  O5a O    11.6200  -19.3900
            43  C1a C    14.0000  -19.3900
            44  C1y C     9.1700  -19.3900
            45  O2x O     7.9800  -18.6900
            46  C1y C     6.7200  -19.3900
            47  C1y C     6.7200  -20.7900
            48  C1y C     7.9100  -21.4900
            49  C1y C     9.1700  -20.7900
            50  C1b C     5.5300  -18.6900
            51  O1a O     5.5300  -21.4900
            52  O2a O     7.9100  -22.8900
            53  N1b N    10.3600  -21.4900
            54  O1a O     4.3400  -19.3900
            55  C5a C    10.3600  -22.8900
            56  O5a O     9.1700  -23.5900
            57  C1a C    11.5500  -23.5900
            58  C1y C     6.6976  -23.5900
            59  O2x O     5.5021  -22.8996
            60  C1y C     4.2896  -23.5995
            61  C1y C     4.2894  -24.9995
            62  C1y C     5.4849  -25.6899
            63  C1y C     6.6974  -24.9900
            64  C1b C     3.0584  -22.8885
            65  O1a O     3.0666  -25.7054
            66  O1a O     5.4847  -27.0898
            67  O1a O     7.9266  -25.7000
            68  O1a O     1.8616  -23.5795
            69  C1b C    22.8900  -12.0400
            70  C2c C    21.6300  -11.3400
            71  C1a C    21.6300   -9.9400
            72  C1b C    20.4400  -13.4400
            73  C2b C    20.4400  -12.0400
            74  C1b C    22.8900  -12.0400
            75  C2c C    21.6300  -11.3400
            76  C1a C    21.6300   -9.9400
            77  C1b C    20.4400  -13.4400
            78  C2b C    20.4400  -12.0400
            79  C1b C    22.8900  -12.0400
            80  C2c C    21.6300  -11.3400
            81  C1a C    21.6300   -9.9400
            82  C1b C    20.4400  -13.4400
            83  C2b C    20.4400  -12.0400
            84  C1b C    22.8900  -12.0400
            85  C2c C    21.6300  -11.3400
            86  C1a C    21.6300   -9.9400
            87  C1b C    20.4400  -13.4400
            88  C2b C    20.4400  -12.0400
            89  C1b C    22.8900  -12.0400
            90  C2c C    21.6300  -11.3400
            91  C1a C    21.6300   -9.9400
            92  C1b C    20.4400  -13.4400
            93  C2b C    20.4400  -12.0400
            94  C1b C    22.8900  -12.0400
            95  C2c C    21.6300  -11.3400
            96  C1a C    21.6300   -9.9400
            97  C1b C    20.4400  -13.4400
            98  C2b C    20.4400  -12.0400
            99  C1b C    22.8900  -12.0400
            100 C2c C    21.6300  -11.3400
            101 C1a C    21.6300   -9.9400
            102 C1b C    20.4400  -13.4400
            103 C2b C    20.4400  -12.0400
BOND        105
            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 #Up
            33   35  39 1 #Down
            34   36  40 1
            35   39  41 1
            36   41  42 2
            37   41  43 1
            38   44  37 1 #Down
            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   47  51 1 #Up
            47   48  52 1 #Up
            48   49  53 1 #Down
            49   50  54 1
            50   53  55 1
            51   55  56 2
            52   55  57 1
            53   58  52 1 #Up
            54   58  59 1
            55   59  60 1
            56   60  61 1
            57   61  62 1
            58   62  63 1
            59   58  63 1
            60   60  64 1 #Up
            61   61  65 1 #Up
            62   62  66 1 #Up
            63   63  67 1 #Down
            64   64  68 1
            65    1   2 1
            66    3   4 1
            67    3   2 1
            68    5   6 1
            69    6   3 2
            70    5  69 1
            71   70  71 1
            72   70  69 1
            73   72  73 1
            74   73  70 2
            75   72  74 1
            76   75  76 1
            77   75  74 1
            78   77  78 1
            79   78  75 2
            80   77  79 1
            81   80  81 1
            82   80  79 1
            83   82  83 1
            84   83  80 2
            85   82  84 1
            86   85  86 1
            87   85  84 1
            88   87  88 1
            89   88  85 2
            90   87  89 1
            91   90  91 1
            92   90  89 1
            93   92  93 1
            94   93  90 2
            95   92  94 1
            96   95  96 1
            97   95  94 1
            98   97  98 1
            99   98  95 2
            100  97  99 1
            101 100 101 1
            102 100  99 1
            103 102 103 1
            104 103 100 2
            105 102   7 1
BRACKET     1    20.1600  -15.0500   20.1600   -9.8700
            1    23.0300   -9.8700   23.0300  -15.0500
            1  8
 ORIGINAL  1    2   3   4   5   6
 REPEAT    1   69  70  71  72  73  74  75  76  77  78  79  80  81  82  83  84
            1   85  86  87  88  89  90  91  92  93  94  95  96  97  98  99 100
            1  101 102 103

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