KEGG   COMPOUND: C22229
Entry
C22229                      Compound                               
Name
[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
Formula
C81H134NO26P2(C24H41O21)n
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C22229  [alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
Other DBs
PubChem: 405226420
LinkDB
KCF data

ATOM        155
            1   C1y C    15.8200  -37.5900
            2   C1y C    15.8200  -38.9900
            3   C1y C    17.0324  -39.6900
            4   C1y C    18.2449  -38.9900
            5   C1y C    18.2449  -37.5900
            6   O2x O    17.0324  -36.8900
            7   O1a O    17.0324  -41.0898
            8   O1a O    19.4760  -39.7010
            9   C1b C    19.4760  -36.8790
            10  O1a O    20.6812  -37.5747
            11  C1y C    16.8700  -32.4100
            12  O2x O    15.6800  -31.7100
            13  C1y C    14.4200  -32.4100
            14  C1y C    14.4200  -33.8100
            15  C1y C    15.6100  -34.5100
            16  C1y C    16.8700  -33.8100
            17  C1b C    13.2300  -31.7100
            18  O1a O    18.0600  -34.5100
            19  O1a O    13.3700  -34.5100
            20  O1a O    13.2300  -30.3100
            21  C1y C    18.1878  -28.7953
            22  C1y C    18.1878  -30.1997
            23  C1y C    19.3816  -30.9020
            24  C1y C    20.6456  -30.1997
            25  C1y C    20.6456  -28.7953
            26  O2x O    19.3816  -28.0931
            27  O1a O    21.8393  -30.9020
            28  O2a O    19.3816  -32.2364
            29  O1a O    16.9941  -30.9020
            30  C1b C    16.9941  -28.0931
            31  O1a O    15.8003  -28.7953
            32  C1y C    19.5300  -23.8000
            33  C1y C    19.5300  -25.2000
            34  C1y C    20.7424  -25.9000
            35  C1y C    21.9549  -25.2000
            36  C1y C    21.9549  -23.8000
            37  O2x O    20.7424  -23.1000
            38  O2a O    22.6260  -26.5410
            39  O1a O    20.7424  -27.0198
            40  O1a O    18.3176  -25.9000
            41  C1b C    18.3176  -23.1000
            42  O1a O    17.1221  -23.7904
            43  C1y C    28.2637  -12.5405
            44  O2x O    27.0591  -11.8449
            45  C1y C    25.8466  -12.5448
            46  C1y C    25.8465  -13.9448
            47  C1y C    27.0511  -14.6404
            48  C1y C    28.2636  -13.9405
            49  O1a O    29.4836  -14.6451
            50  O1a O    24.6282  -14.6481
            51  C1b C    24.6153  -11.8339
            52  O1a O    23.4231  -12.5223
            53  O2a O    27.0507  -16.0297
            54  C1y C    25.6751  -17.1629
            55  O2x O    24.4685  -16.4660
            56  C1y C    23.2559  -17.1658
            57  C1y C    23.2557  -18.5658
            58  C1y C    24.4624  -19.2628
            59  C1y C    25.6749  -18.5629
            60  C1b C    22.0247  -16.4549
            61  O1a O    26.8928  -19.2664
            62  O2a O    24.4619  -20.6496
            63  O1a O    22.0384  -19.2685
            64  O1a O    20.8334  -17.1428
            65  C1y C    25.6502  -21.3364
            66  C1y C    25.6498  -22.7497
            67  C1y C    26.8620  -23.4500
            68  C1y C    28.0746  -22.7504
            69  C1y C    28.0750  -21.3371
            70  O2x O    26.8628  -20.6368
            71  O2a O    23.2949  -23.6025
            72  O1a O    26.8616  -24.8499
            73  C1b C    29.2783  -20.6429
            74  O1a O    29.2832  -23.4487
            75  O1a O    29.2783  -19.2429
            76  O2b O    37.7300   -7.2100
            77  P1b P    36.2600   -7.2100
            78  O2c O    34.7900   -7.2100
            79  O1c O    36.2600   -5.7400
            80  O1c O    36.2600   -8.6800
            81  P1b P    33.3200   -7.2100
            82  O2b O    31.8500   -7.2100
            83  O1c O    33.3200   -5.7400
            84  O1c O    33.3200   -8.6800
            85  C1y C    30.6600   -7.9100
            86  O2x O    29.4700   -7.2100
            87  C1y C    28.2100   -7.9100
            88  C1y C    28.2100   -9.3100
            89  C1y C    29.4000  -10.0100
            90  C1y C    30.6600   -9.3100
            91  C1b C    27.0200   -7.2100
            92  O2a O    29.4000  -11.4800
            93  O1a O    27.0200  -10.0100
            94  N1b N    31.8500  -10.0100
            95  O1a O    25.8300   -7.9100
            96  C5a C    31.8500  -11.4100
            97  O5a O    30.6600  -12.1100
            98  C1a C    33.0400  -12.1100
            99  C1b C    41.9300   -4.7600
            100 C2c C    40.6700   -4.0600
            101 C1a C    40.6700   -2.6600
            102 C1b C    39.4800   -6.1600
            103 C2b C    39.4800   -4.7600
            104 C1b C    42.9800   -4.0600
            105 C1a C    56.7000   -4.7600
            106 C2c C    55.4400   -4.0600
            107 C2b C    54.1800   -4.7600
            108 C1a C    55.4400   -2.6600
            109 C1b C    52.9200   -4.0600
            110 C1b C    51.7300   -4.7600
            111 C2c C    50.4700   -4.0600
            112 C2b C    49.2100   -4.7600
            113 C1a C    50.4700   -2.6600
            114 C1b C    47.9500   -4.0600
            115 C1b C    46.7600   -4.7600
            116 C2c C    45.5000   -4.0600
            117 C2b C    44.2400   -4.7600
            118 C1a C    45.5000   -2.6600
            119 O2a O    15.5928  -35.9099
            120 O1a O    14.6076  -39.6900
            121 C1b C    41.9300   -4.7600
            122 C2c C    40.6700   -4.0600
            123 C1a C    40.6700   -2.6600
            124 C1b C    39.4800   -6.1600
            125 C2b C    39.4800   -4.7600
            126 C1b C    41.9300   -4.7600
            127 C2c C    40.6700   -4.0600
            128 C1a C    40.6700   -2.6600
            129 C1b C    39.4800   -6.1600
            130 C2b C    39.4800   -4.7600
            131 C1b C    41.9300   -4.7600
            132 C2c C    40.6700   -4.0600
            133 C1a C    40.6700   -2.6600
            134 C1b C    39.4800   -6.1600
            135 C2b C    39.4800   -4.7600
            136 C1b C    41.9300   -4.7600
            137 C2c C    40.6700   -4.0600
            138 C1a C    40.6700   -2.6600
            139 C1b C    39.4800   -6.1600
            140 C2b C    39.4800   -4.7600
            141 C1b C    41.9300   -4.7600
            142 C2c C    40.6700   -4.0600
            143 C1a C    40.6700   -2.6600
            144 C1b C    39.4800   -6.1600
            145 C2b C    39.4800   -4.7600
            146 C1b C    41.9300   -4.7600
            147 C2c C    40.6700   -4.0600
            148 C1a C    40.6700   -2.6600
            149 C1b C    39.4800   -6.1600
            150 C2b C    39.4800   -4.7600
            151 C1b C    41.9300   -4.7600
            152 C2c C    40.6700   -4.0600
            153 C1a C    40.6700   -2.6600
            154 C1b C    39.4800   -6.1600
            155 C2b C    39.4800   -4.7600
BOND        162
            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     3   7 1 #Down
            8     4   8 1 #Up
            9     5   9 1 #Down
            10    9  10 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   11  16 1
            17   13  17 1 #Up
            18   16  18 1 #Up
            19   14  19 1 #Down
            20   17  20 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   21  26 1
            27   24  27 1 #Up
            28   23  28 1 #Up
            29   22  29 1 #Down
            30   21  30 1 #Up
            31   30  31 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   32  37 1
            38   35  38 1 #Up
            39   34  39 1 #Up
            40   33  40 1 #Down
            41   32  41 1 #Up
            42   41  42 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   43  48 1
            49   48  49 1 #Up
            50   46  50 1 #Down
            51   45  51 1 #Up
            52   51  52 1
            53   47  53 1 #Up
            54   54  53 1 #Down
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   58  59 1
            60   54  59 1
            61   56  60 1 #Up
            62   59  61 1 #Up
            63   58  62 1 #Up
            64   57  63 1 #Down
            65   60  64 1
            66   65  62 1 #Up
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   69  70 1
            72   65  70 1
            73   66  71 1 #Down
            74   67  72 1 #Down
            75   69  73 1 #Down
            76   68  74 1 #Up
            77   73  75 1
            78   76  77 1
            79   77  78 1
            80   77  79 1
            81   77  80 2
            82   78  81 1
            83   81  82 1
            84   81  83 1
            85   81  84 2
            86   85  82 1 #Down
            87   85  86 1
            88   86  87 1
            89   87  88 1
            90   88  89 1
            91   89  90 1
            92   85  90 1
            93   87  91 1 #Up
            94   89  92 1 #Up
            95   88  93 1 #Down
            96   90  94 1 #Down
            97   91  95 1
            98   94  96 1
            99   96  97 2
            100  96  98 1
            101 109 110 1
            102 110 111 1
            103 111 112 2
            104 111 113 1
            105 112 114 1
            106 107 109 1
            107 105 106 1
            108 106 107 2
            109 114 115 1
            110 115 116 1
            111 116 117 2
            112 116 118 1
            113 117 104 1
            114 106 108 1
            115  43  92 1 #Down
            116  36  71 1 #Down
            117  25  38 1 #Down
            118  11  28 1 #Down
            119  15 119 1 #Up
            120   1 119 1 #Up
            121   2 120 1 #Down
            122 100 101 1
            123 100  99 1
            124 102 103 1
            125 103 100 2
            126  76 102 1
            127 122 123 1
            128 122 121 1
            129 124 125 1
            130 125 122 2
            131  99 124 1
            132 127 128 1
            133 127 126 1
            134 129 130 1
            135 130 127 2
            136 121 129 1
            137 132 133 1
            138 132 131 1
            139 134 135 1
            140 135 132 2
            141 126 134 1
            142 137 138 1
            143 137 136 1
            144 139 140 1
            145 140 137 2
            146 131 139 1
            147 142 143 1
            148 142 141 1
            149 144 145 1
            150 145 142 2
            151 136 144 1
            152 147 148 1
            153 147 146 1
            154 149 150 1
            155 150 147 2
            156 141 149 1
            157 152 153 1
            158 152 151 1
            159 154 155 1
            160 155 152 2
            161 146 154 1
            162 151 104 1
BRACKET     1    39.2000   -7.4900   39.2000   -2.3100
            1    42.1400   -2.3100   42.1400   -7.4900
            1  8
 ORIGINAL  1   99 100 101 102 103
 REPEAT    1  121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136
            1  137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152
            1  153 154 155
            2    12.1800  -42.4900   12.1800  -22.4700
            2    24.0800  -22.1900   24.0800  -42.4900
            2  n
 ORIGINAL  2    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            2   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31  32
            2   33  34  35  36  37  38  39  40  41  42  71 119 120
 REPEAT    2

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