KEGG   COMPOUND: C21504
Entry
C21504                      Compound                               
Name
4-O-[(1-D-Ribitylphospho)n-(1-D-ribitylphospho)-(2R)-1-glycerophospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
Formula
C79H136N2O29P4(C5H11O7P)n
Structure
Remark
Same as: G13169
Reaction
Pathway
map00552  Teichoic acid biosynthesis
Enzyme
2.4.1.53        2.7.8.47
Other DBs
PubChem: 333497487
KCF data

ATOM        127
            1   P1b P    11.6168  -21.5558
            2   O1c O    11.6168  -20.1515
            3   O1c O    11.6168  -22.9601
            4   O2b O    10.2126  -21.5558
            5   C1b C     9.0189  -22.2579
            6   C1c C     7.7551  -21.5558
            7   C1c C     6.5614  -22.2579
            8   C1c C     5.3678  -21.5558
            9   O1a O     7.7551  -20.1515
            10  O1a O     5.3678  -20.1515
            11  C1b C     4.1741  -22.2579
            12  O1a O     6.5614  -23.6622
            13  O1a O     2.9805  -21.5558
            14  O2b O    46.4100  -15.8900
            15  P1b P    44.9400  -15.8900
            16  O2c O    43.4700  -15.8900
            17  O1c O    44.9400  -14.4200
            18  O1c O    44.9400  -17.3600
            19  P1b P    42.0000  -15.8900
            20  O2b O    40.5300  -15.8900
            21  O1c O    42.0000  -14.4200
            22  O1c O    42.0000  -17.3600
            23  C1y C    39.3400  -16.5900
            24  O2x O    38.1500  -15.8900
            25  C1y C    36.8900  -16.5900
            26  C1y C    36.8900  -17.9900
            27  C1y C    38.0800  -18.6900
            28  C1y C    39.3400  -17.9900
            29  C1b C    35.7000  -15.8900
            30  O1a O    38.0800  -20.0900
            31  O2a O    35.7000  -18.6900
            32  N1b N    40.5300  -18.6900
            33  C5a C    40.5300  -20.0900
            34  O5a O    39.3400  -20.7900
            35  C1a C    41.7200  -20.7900
            36  C1y C    34.5100  -19.3900
            37  O2x O    33.3200  -18.6900
            38  C1y C    32.0600  -19.3900
            39  C1y C    32.0600  -20.7900
            40  C1y C    33.2500  -21.4900
            41  C1y C    34.5100  -20.7900
            42  C1b C    30.8700  -18.6900
            43  O1a O    33.2500  -22.8900
            44  N1b N    35.7000  -21.4900
            45  O2b O    30.8700  -21.4900
            46  O1a O    30.8700  -17.2900
            47  C5a C    35.7000  -22.8900
            48  O5a O    34.5100  -23.5900
            49  C1a C    36.8900  -23.5900
            50  O1a O    35.7000  -14.4900
            51  P1b P    29.4700  -21.4900
            52  O1c O    29.4700  -20.0900
            53  O1c O    29.4700  -22.8900
            54  O2b O    28.0700  -21.4900
            55  C1b C    26.8800  -22.1900
            56  C1c C    25.6200  -21.4900
            57  C1b C    24.4300  -22.1900
            58  O2b O    23.2400  -21.4900
            59  O1a O    25.6200  -20.0900
            60  P1b P    21.8400  -21.4900
            61  O1c O    21.8400  -20.0900
            62  O1c O    21.8400  -22.8900
            63  O2b O    20.4400  -21.4900
            64  C1b C    19.2500  -22.1900
            65  C1c C    17.9900  -21.4900
            66  C1c C    16.8000  -22.1900
            67  C1c C    15.6100  -21.4900
            68  O1a O    17.9900  -20.0900
            69  O1a O    15.6100  -20.0900
            70  C1b C    14.4200  -22.1900
            71  O1a O    16.8000  -23.5900
            72  O2b O    13.2300  -21.4900
            73  C1b C    50.6100  -13.4400
            74  C2c C    49.3500  -12.7400
            75  C1a C    49.3500  -11.3400
            76  C1b C    48.1600  -14.8400
            77  C2b C    48.1600  -13.4400
            78  C1b C    51.6600  -12.7400
            79  C1a C    65.3800  -13.4400
            80  C2c C    64.1200  -12.7400
            81  C2b C    62.8600  -13.4400
            82  C1a C    64.1200  -11.3400
            83  C1b C    61.6000  -12.7400
            84  C1b C    60.4100  -13.4400
            85  C2c C    59.1500  -12.7400
            86  C2b C    57.8900  -13.4400
            87  C1a C    59.1500  -11.3400
            88  C1b C    56.6300  -12.7400
            89  C1b C    55.4400  -13.4400
            90  C2c C    54.1800  -12.7400
            91  C2b C    52.9200  -13.4400
            92  C1a C    54.1800  -11.3400
            93  C1b C    50.6100  -13.4400
            94  C2c C    49.3500  -12.7400
            95  C1a C    49.3500  -11.3400
            96  C1b C    48.1600  -14.8400
            97  C2b C    48.1600  -13.4400
            98  C1b C    50.6100  -13.4400
            99  C2c C    49.3500  -12.7400
            100 C1a C    49.3500  -11.3400
            101 C1b C    48.1600  -14.8400
            102 C2b C    48.1600  -13.4400
            103 C1b C    50.6100  -13.4400
            104 C2c C    49.3500  -12.7400
            105 C1a C    49.3500  -11.3400
            106 C1b C    48.1600  -14.8400
            107 C2b C    48.1600  -13.4400
            108 C1b C    50.6100  -13.4400
            109 C2c C    49.3500  -12.7400
            110 C1a C    49.3500  -11.3400
            111 C1b C    48.1600  -14.8400
            112 C2b C    48.1600  -13.4400
            113 C1b C    50.6100  -13.4400
            114 C2c C    49.3500  -12.7400
            115 C1a C    49.3500  -11.3400
            116 C1b C    48.1600  -14.8400
            117 C2b C    48.1600  -13.4400
            118 C1b C    50.6100  -13.4400
            119 C2c C    49.3500  -12.7400
            120 C1a C    49.3500  -11.3400
            121 C1b C    48.1600  -14.8400
            122 C2b C    48.1600  -13.4400
            123 C1b C    50.6100  -13.4400
            124 C2c C    49.3500  -12.7400
            125 C1a C    49.3500  -11.3400
            126 C1b C    48.1600  -14.8400
            127 C2b C    48.1600  -13.4400
BOND        128
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     6   9 1 #Down
            9     8  10 1 #Down
            10    8  11 1
            11    7  12 1 #Up
            12   11  13 1
            13   14  15 1
            14   15  16 1
            15   15  17 1
            16   15  18 2
            17   16  19 1
            18   19  20 1
            19   19  21 1
            20   19  22 2
            21   23  20 1 #Down
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   23  28 1
            28   25  29 1 #Up
            29   27  30 1 #Up
            30   26  31 1 #Down
            31   28  32 1 #Down
            32   32  33 1
            33   33  34 2
            34   33  35 1
            35   36  31 1 #Up
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   36  41 1
            42   38  42 1 #Up
            43   40  43 1 #Up
            44   41  44 1 #Up
            45   39  45 1 #Down
            46   42  46 1
            47   44  47 1
            48   47  48 2
            49   47  49 1
            50   29  50 1
            51   45  51 1
            52   51  52 2
            53   51  53 1
            54   51  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   56  59 1 #Up
            60   60  61 2
            61   60  62 1
            62   60  63 1
            63   63  64 1
            64   64  65 1
            65   65  66 1
            66   66  67 1
            67   65  68 1 #Down
            68   58  60 1
            69   67  69 1 #Down
            70   67  70 1
            71   66  71 1 #Up
            72   70  72 1
            73   83  84 1
            74   84  85 1
            75   85  86 2
            76   85  87 1
            77   86  88 1
            78   81  83 1
            79   79  80 1
            80   80  81 2
            81   88  89 1
            82   89  90 1
            83   90  91 2
            84   90  92 1
            85   91  78 1
            86   80  82 1
            87    1  72 1
            88   74  75 1
            89   74  73 1
            90   76  77 1
            91   77  74 2
            92   14  76 1
            93   94  95 1
            94   94  93 1
            95   96  97 1
            96   97  94 2
            97   73  96 1
            98   99 100 1
            99   99  98 1
            100 101 102 1
            101 102  99 2
            102  93 101 1
            103 104 105 1
            104 104 103 1
            105 106 107 1
            106 107 104 2
            107  98 106 1
            108 109 110 1
            109 109 108 1
            110 111 112 1
            111 112 109 2
            112 103 111 1
            113 114 115 1
            114 114 113 1
            115 116 117 1
            116 117 114 2
            117 108 116 1
            118 119 120 1
            119 119 118 1
            120 121 122 1
            121 122 119 2
            122 113 121 1
            123 124 125 1
            124 124 123 1
            125 126 127 1
            126 127 124 2
            127 118 126 1
            128 123  78 1
BRACKET     1    47.7400  -15.9600   47.7400  -10.7100
            1    50.6800  -10.7100   50.6800  -15.9600
            1  8
 ORIGINAL  1   73  74  75  76  77
 REPEAT    1   93  94  95  96  97  98  99 100 101 102 103 104 105 106 107 108
            1  109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124
            1  125 126 127
            2     4.1300  -24.7100    4.1300  -18.9000
            2    13.5800  -18.9000   13.5800  -24.7100
            2  n
 ORIGINAL  2    1   2   3   4   5   6   7   8   9  10  11  12  72
 REPEAT    2

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