KEGG   COMPOUND: C19857
Entry
C19857                      Compound                               
Name
D-Man-beta-(1->4)-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
Formula
C85H140O33P2
Exact mass
1750.8752
Mol weight
1751.9488
Structure
Reaction
Enzyme
2.4.1.251       2.5.1.95
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C19857  D-Man-beta-(1->4)-GlcA-beta-(1->2)-D-Man-alpha-(1->3)-D-Glc-beta-(1->4)-D-Glc-alpha-1-diphospho-ditrans,octacis-undecaprenol
Other DBs
PubChem: 135626324
KCF data

ATOM        120
            1   C1y C    22.5400  -31.0100
            2   C1y C    22.5400  -32.4100
            3   O2x O    21.3500  -30.3100
            4   C1b C    23.8000  -30.3100
            5   C1y C    21.3500  -33.1100
            6   O1a O    23.8000  -33.1100
            7   C1y C    20.0900  -31.0100
            8   O1a O    24.8500  -31.2200
            9   C1y C    20.0900  -32.4100
            10  O1a O    21.3500  -34.5100
            11  O1a O    18.9000  -33.1100
            12  C1y C    17.5700  -27.9300
            13  C1y C    17.5700  -29.3300
            14  O2x O    16.3800  -27.2300
            15  C6a C    18.7600  -27.3000
            16  C1y C    16.3800  -30.0300
            17  O2a O    18.7600  -30.0300
            18  C1y C    15.1200  -27.9300
            19  O6a O    19.8100  -28.2100
            20  O6a O    18.7600  -25.9000
            21  C1y C    15.1200  -29.3300
            22  O1a O    16.3800  -31.4300
            23  O1a O    13.9300  -30.0300
            24  C1y C    10.0800  -24.8500
            25  C1y C    10.0800  -26.2500
            26  O2x O    11.2700  -24.1500
            27  C1b C     8.8900  -24.1500
            28  C1y C    11.2700  -26.9500
            29  O1a O     8.8900  -26.9500
            30  C1y C    12.5300  -24.8500
            31  O1a O     7.7700  -25.0600
            32  C1y C    12.5300  -26.2500
            33  O1a O    11.2700  -28.3500
            34  O2a O    13.7200  -26.9500
            35  C1y C    12.2500  -20.4400
            36  C1y C    12.2500  -21.8400
            37  O2x O    13.4400  -19.7400
            38  C1b C    10.9900  -19.7400
            39  C1y C    13.4400  -22.5400
            40  O1a O    10.9900  -22.5400
            41  C1y C    14.7000  -20.4400
            42  O1a O     9.9400  -20.6500
            43  C1y C    14.7000  -21.8400
            44  O2a O    13.4400  -23.9400
            45  O1a O    15.8900  -22.5400
            46  C1y C    16.6600  -17.2200
            47  C1y C    16.6600  -18.6200
            48  O2x O    17.8500  -16.5200
            49  C1b C    15.4000  -16.5200
            50  C1y C    17.8500  -19.3200
            51  O2a O    15.4000  -19.3200
            52  C1y C    19.1100  -17.2200
            53  O1a O    14.3500  -17.4300
            54  C1y C    19.1100  -18.6200
            55  O1a O    17.8500  -20.7200
            56  O1a O    20.3000  -19.3200
            57  C1b C    31.1500  -13.0900
            58  C1b C    30.1000  -13.7900
            59  C2c C    28.8400  -13.0900
            60  C1a C    28.8400  -11.6900
            61  C1b C    27.6500  -15.1900
            62  C2b C    27.6500  -13.7900
            63  O2b O    25.9000  -16.2400
            64  C1a C    44.8700  -13.7900
            65  C2c C    43.6100  -13.0900
            66  C2b C    42.3500  -13.7900
            67  C1a C    43.6100  -11.6900
            68  C1b C    41.0900  -13.0900
            69  C1b C    39.9000  -13.7900
            70  C2c C    38.6400  -13.0900
            71  C2b C    37.3800  -13.7900
            72  C1a C    38.6400  -11.6900
            73  C1b C    36.1200  -13.0900
            74  C1b C    34.9300  -13.7900
            75  C2c C    33.6700  -13.0900
            76  C2b C    32.4100  -13.7900
            77  C1a C    33.6700  -11.6900
            78  P1b P    24.4300  -16.2400
            79  O2c O    22.9600  -16.2400
            80  O1c O    24.4300  -14.7700
            81  O1c O    24.4300  -17.7100
            82  P1b P    21.4900  -16.2400
            83  O2b O    20.0200  -16.2400
            84  O1c O    21.4900  -14.7700
            85  O1c O    21.4900  -17.7100
            86  C1b C    30.1000  -13.7900
            87  C2c C    28.8400  -13.0900
            88  C1a C    28.8400  -11.6900
            89  C1b C    27.6500  -15.1900
            90  C2b C    27.6500  -13.7900
            91  C1b C    30.1000  -13.7900
            92  C2c C    28.8400  -13.0900
            93  C1a C    28.8400  -11.6900
            94  C1b C    27.6500  -15.1900
            95  C2b C    27.6500  -13.7900
            96  C1b C    30.1000  -13.7900
            97  C2c C    28.8400  -13.0900
            98  C1a C    28.8400  -11.6900
            99  C1b C    27.6500  -15.1900
            100 C2b C    27.6500  -13.7900
            101 C1b C    30.1000  -13.7900
            102 C2c C    28.8400  -13.0900
            103 C1a C    28.8400  -11.6900
            104 C1b C    27.6500  -15.1900
            105 C2b C    27.6500  -13.7900
            106 C1b C    30.1000  -13.7900
            107 C2c C    28.8400  -13.0900
            108 C1a C    28.8400  -11.6900
            109 C1b C    27.6500  -15.1900
            110 C2b C    27.6500  -13.7900
            111 C1b C    30.1000  -13.7900
            112 C2c C    28.8400  -13.0900
            113 C1a C    28.8400  -11.6900
            114 C1b C    27.6500  -15.1900
            115 C2b C    27.6500  -13.7900
            116 C1b C    30.1000  -13.7900
            117 C2c C    28.8400  -13.0900
            118 C1a C    28.8400  -11.6900
            119 C1b C    27.6500  -15.1900
            120 C2b C    27.6500  -13.7900
BOND        124
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Down
            10    9  11 1 #Down
            11    7   9 1
            12   12  13 1
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   13  17 1 #Up
            17   14  18 1
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   16  22 1 #Down
            22   21  23 1 #Up
            23   18  21 1
            24   24  25 1
            25   24  26 1
            26   24  27 1 #Up
            27   25  28 1
            28   25  29 1 #Down
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   28  33 1 #Up
            33   32  34 1 #Up
            34   30  32 1
            35   35  36 1
            36   35  37 1
            37   35  38 1 #Up
            38   36  39 1
            39   36  40 1 #Down
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 1 #Up
            44   43  45 1 #Down
            45   41  43 1
            46   46  47 1
            47   46  48 1
            48   46  49 1 #Up
            49   47  50 1
            50   47  51 1 #Down
            51   48  52 1
            52   49  53 1
            53   50  54 1
            54   50  55 1 #Up
            55   54  56 1 #Down
            56   52  54 1
            57   68  69 1
            58   69  70 1
            59   70  71 2
            60   70  72 1
            61   71  73 1
            62   66  68 1
            63   64  65 1
            64   65  66 2
            65   73  74 1
            66   74  75 1
            67   75  76 2
            68   75  77 1
            69   76  57 1
            70   65  67 1
            71   63  78 1
            72   78  79 1
            73   78  80 1
            74   78  81 2
            75   79  82 1
            76   82  83 1
            77   82  84 1
            78   82  85 2
            79   52  83 1 #Down
            80   41  51 1 #Up
            81   30  44 1 #Down
            82   18  34 1 #Down
            83    7  17 1 #Down
            84   57  58 1
            85   59  60 1
            86   59  58 1
            87   61  62 1
            88   62  59 2
            89   61  86 1
            90   87  88 1
            91   87  86 1
            92   89  90 1
            93   90  87 2
            94   89  91 1
            95   92  93 1
            96   92  91 1
            97   94  95 1
            98   95  92 2
            99   94  96 1
            100  97  98 1
            101  97  96 1
            102  99 100 1
            103 100  97 2
            104  99 101 1
            105 102 103 1
            106 102 101 1
            107 104 105 1
            108 105 102 2
            109 104 106 1
            110 107 108 1
            111 107 106 1
            112 109 110 1
            113 110 107 2
            114 109 111 1
            115 112 113 1
            116 112 111 1
            117 114 115 1
            118 115 112 2
            119 114 116 1
            120 117 118 1
            121 117 116 1
            122 119 120 1
            123 120 117 2
            124 119  63 1
BRACKET     1    27.3700  -16.3100   27.3700  -11.0600
            1    30.3800  -11.0600   30.3800  -16.3100
            1  8
 ORIGINAL  1   58  59  60  61  62
 REPEAT    1   86  87  88  89  90  91  92  93  94  95  96  97  98  99 100 101
            1  102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117
            1  118 119 120

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