KEGG   COMPOUND: C19855
Entry
C19855                      Compound                               

Name
D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
Formula
C73H122O22P2
Exact mass
1412.7903
Mol weight
1413.6841
Structure
Reaction
Enzyme
2.4.1.252       2.4.1.264
Other DBs
PubChem: 135626322
KCF data

ATOM        97
            1   C1y C    22.6800  -36.1900
            2   C1y C    22.6800  -37.5900
            3   O2x O    23.8700  -35.4900
            4   C1b C    21.4900  -35.4900
            5   C1y C    23.8700  -38.2900
            6   O1a O    21.4900  -38.2900
            7   C1y C    25.1300  -36.1900
            8   O1a O    20.3700  -36.4000
            9   C1y C    25.1300  -37.5900
            10  O1a O    23.8700  -39.6900
            11  O1a O    26.3200  -38.2900
            12  C1y C    24.8500  -31.7800
            13  C1y C    24.8500  -33.1800
            14  O2x O    26.0400  -31.0800
            15  C1b C    23.5900  -31.0800
            16  C1y C    26.0400  -33.8800
            17  O1a O    23.5900  -33.8800
            18  C1y C    27.3000  -31.7800
            19  O1a O    22.5400  -31.9900
            20  C1y C    27.3000  -33.1800
            21  O2a O    26.0400  -35.2800
            22  O1a O    28.4900  -33.8800
            23  C1y C    29.2600  -28.5600
            24  C1y C    29.2600  -29.9600
            25  O2x O    30.4500  -27.8600
            26  C1b C    28.0000  -27.8600
            27  C1y C    30.4500  -30.6600
            28  O2a O    28.0000  -30.6600
            29  C1y C    31.7100  -28.5600
            30  O1a O    26.9500  -28.7700
            31  C1y C    31.7100  -29.9600
            32  O1a O    30.4500  -32.0600
            33  O1a O    32.9000  -30.6600
            34  C1b C    43.7500  -24.4300
            35  C1b C    42.7000  -25.1300
            36  C2c C    41.4400  -24.4300
            37  C1a C    41.4400  -23.0300
            38  C1b C    40.2500  -26.5300
            39  C2b C    40.2500  -25.1300
            40  O2b O    38.5000  -27.5800
            41  C1a C    57.4700  -25.1300
            42  C2c C    56.2100  -24.4300
            43  C2b C    54.9500  -25.1300
            44  C1a C    56.2100  -23.0300
            45  C1b C    53.6900  -24.4300
            46  C1b C    52.5000  -25.1300
            47  C2c C    51.2400  -24.4300
            48  C2b C    49.9800  -25.1300
            49  C1a C    51.2400  -23.0300
            50  C1b C    48.7200  -24.4300
            51  C1b C    47.5300  -25.1300
            52  C2c C    46.2700  -24.4300
            53  C2b C    45.0100  -25.1300
            54  C1a C    46.2700  -23.0300
            55  P1b P    37.0300  -27.5800
            56  O2c O    35.5600  -27.5800
            57  O1c O    37.0300  -26.1100
            58  O1c O    37.0300  -29.0500
            59  P1b P    34.0900  -27.5800
            60  O2b O    32.6200  -27.5800
            61  O1c O    34.0900  -26.1100
            62  O1c O    34.0900  -29.0500
            63  C1b C    42.7000  -25.1300
            64  C2c C    41.4400  -24.4300
            65  C1a C    41.4400  -23.0300
            66  C1b C    40.2500  -26.5300
            67  C2b C    40.2500  -25.1300
            68  C1b C    42.7000  -25.1300
            69  C2c C    41.4400  -24.4300
            70  C1a C    41.4400  -23.0300
            71  C1b C    40.2500  -26.5300
            72  C2b C    40.2500  -25.1300
            73  C1b C    42.7000  -25.1300
            74  C2c C    41.4400  -24.4300
            75  C1a C    41.4400  -23.0300
            76  C1b C    40.2500  -26.5300
            77  C2b C    40.2500  -25.1300
            78  C1b C    42.7000  -25.1300
            79  C2c C    41.4400  -24.4300
            80  C1a C    41.4400  -23.0300
            81  C1b C    40.2500  -26.5300
            82  C2b C    40.2500  -25.1300
            83  C1b C    42.7000  -25.1300
            84  C2c C    41.4400  -24.4300
            85  C1a C    41.4400  -23.0300
            86  C1b C    40.2500  -26.5300
            87  C2b C    40.2500  -25.1300
            88  C1b C    42.7000  -25.1300
            89  C2c C    41.4400  -24.4300
            90  C1a C    41.4400  -23.0300
            91  C1b C    40.2500  -26.5300
            92  C2b C    40.2500  -25.1300
            93  C1b C    42.7000  -25.1300
            94  C2c C    41.4400  -24.4300
            95  C1a C    41.4400  -23.0300
            96  C1b C    40.2500  -26.5300
            97  C2b C    40.2500  -25.1300
BOND        99
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    9  11 1 #Up
            11    7   9 1
            12   12  13 1
            13   12  14 1
            14   12  15 1 #Up
            15   13  16 1
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Up
            21   20  22 1 #Down
            22   18  20 1
            23   23  24 1
            24   23  25 1
            25   23  26 1 #Up
            26   24  27 1
            27   24  28 1 #Down
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   27  32 1 #Up
            32   31  33 1 #Down
            33   29  31 1
            34   45  46 1
            35   46  47 1
            36   47  48 2
            37   47  49 1
            38   48  50 1
            39   43  45 1
            40   41  42 1
            41   42  43 2
            42   50  51 1
            43   51  52 1
            44   52  53 2
            45   52  54 1
            46   53  34 1
            47   42  44 1
            48   40  55 1
            49   55  56 1
            50   55  57 1
            51   55  58 2
            52   56  59 1
            53   59  60 1
            54   59  61 1
            55   59  62 2
            56   29  60 1 #Down
            57   18  28 1 #Up
            58    7  21 1 #Down
            59   34  35 1
            60   36  37 1
            61   36  35 1
            62   38  39 1
            63   39  36 2
            64   38  63 1
            65   64  65 1
            66   64  63 1
            67   66  67 1
            68   67  64 2
            69   66  68 1
            70   69  70 1
            71   69  68 1
            72   71  72 1
            73   72  69 2
            74   71  73 1
            75   74  75 1
            76   74  73 1
            77   76  77 1
            78   77  74 2
            79   76  78 1
            80   79  80 1
            81   79  78 1
            82   81  82 1
            83   82  79 2
            84   81  83 1
            85   84  85 1
            86   84  83 1
            87   86  87 1
            88   87  84 2
            89   86  88 1
            90   89  90 1
            91   89  88 1
            92   91  92 1
            93   92  89 2
            94   91  93 1
            95   94  95 1
            96   94  93 1
            97   96  97 1
            98   97  94 2
            99   96  40 1
BRACKET     1    39.9700  -27.6500   39.9700  -22.4000
            1    42.9800  -22.4000   42.9800  -27.6500
            1  8
 ORIGINAL  1   35  36  37  38  39
 REPEAT    1   63  64  65  66  67  68  69  70  71  72  73  74  75  76  77  78
            1   79  80  81  82  83  84  85  86  87  88  89  90  91  92  93  94
            1   95  96  97

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