KEGG   COMPOUND: C21869
Entry
C21869                      Compound                               
Name
4-O-[(2-beta-D-Glucosyl-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(C11H21O12P)n
Structure
Remark
Same as: G13170
Reaction
Pathway
map00552  Teichoic acid biosynthesis
Enzyme
KCF data

ATOM        138
            1   C1y C     9.7300  -15.0500
            2   C1y C     9.7300  -13.6500
            3   C1y C     8.5400  -12.9500
            4   C1y C     7.3500  -13.6500
            5   C1y C     7.3500  -15.0500
            6   O2x O     8.5400  -15.7500
            7   C1b C    10.9900  -15.7500
            8   O1a O    12.1800  -15.0500
            9   O1a O    10.9200  -12.9500
            10  O1a O     6.0900  -12.9500
            11  O1a O     8.5400  -11.5500
            12  P1b P    10.4968  -19.8758
            13  O1c O    10.4968  -18.4715
            14  O1c O    10.4968  -21.2801
            15  O2b O     9.0926  -19.8758
            16  C1b C     7.8989  -20.5779
            17  C1c C     6.6351  -19.8758
            18  C1c C     5.4414  -20.5779
            19  C1c C     4.2478  -19.8758
            20  O2a O     6.6351  -18.4715
            21  O1a O     4.2478  -18.4715
            22  C1b C     3.0541  -20.5779
            23  O1a O     5.4414  -21.9822
            24  O1a O     1.7205  -19.8058
            25  O2b O    45.2900  -14.2100
            26  P1b P    43.8200  -14.2100
            27  O2c O    42.3500  -14.2100
            28  O1c O    43.8200  -12.7400
            29  O1c O    43.8200  -15.6800
            30  P1b P    40.8800  -14.2100
            31  O2b O    39.4100  -14.2100
            32  O1c O    40.8800  -12.7400
            33  O1c O    40.8800  -15.6800
            34  C1y C    38.2200  -14.9100
            35  O2x O    37.0300  -14.2100
            36  C1y C    35.7700  -14.9100
            37  C1y C    35.7700  -16.3100
            38  C1y C    36.9600  -17.0100
            39  C1y C    38.2200  -16.3100
            40  C1b C    34.5800  -14.2100
            41  O1a O    36.9600  -18.4100
            42  O2a O    34.5800  -17.0100
            43  N1b N    39.4100  -17.0100
            44  C5a C    39.4100  -18.4100
            45  O5a O    38.2200  -19.1100
            46  C1a C    40.6000  -19.1100
            47  C1y C    33.3900  -17.7100
            48  O2x O    32.2000  -17.0100
            49  C1y C    30.9400  -17.7100
            50  C1y C    30.9400  -19.1100
            51  C1y C    32.1300  -19.8100
            52  C1y C    33.3900  -19.1100
            53  C1b C    29.7500  -17.0100
            54  O1a O    32.1300  -21.2100
            55  N1b N    34.5800  -19.8100
            56  O2b O    29.7500  -19.8100
            57  O1a O    29.7500  -15.6100
            58  C5a C    34.5800  -21.2100
            59  O5a O    33.3900  -21.9100
            60  C1a C    35.7700  -21.9100
            61  O1a O    34.5800  -12.8100
            62  P1b P    28.3500  -19.8100
            63  O1c O    28.3500  -18.4100
            64  O1c O    28.3500  -21.2100
            65  O2b O    26.9500  -19.8100
            66  C1b C    25.7600  -20.5100
            67  C1c C    24.5000  -19.8100
            68  C1b C    23.3100  -20.5100
            69  O2b O    22.1200  -19.8100
            70  O1a O    24.5000  -18.4100
            71  P1b P    20.7200  -19.8100
            72  O1c O    20.7200  -18.4100
            73  O1c O    20.7200  -21.2100
            74  O2b O    19.3200  -19.8100
            75  C1b C    18.1300  -20.5100
            76  C1c C    16.8700  -19.8100
            77  C1c C    15.6800  -20.5100
            78  C1c C    14.4900  -19.8100
            79  O1a O    16.8700  -18.4100
            80  O1a O    14.4900  -18.4100
            81  C1b C    13.3000  -20.5100
            82  O1a O    15.6800  -21.9100
            83  O2b O    12.1100  -19.8100
            84  C1b C    49.4900  -11.7600
            85  C2c C    48.2300  -11.0600
            86  C1a C    48.2300   -9.6600
            87  C1b C    47.0400  -13.1600
            88  C2b C    47.0400  -11.7600
            89  C1b C    50.5400  -11.0600
            90  C1a C    64.2600  -11.7600
            91  C2c C    63.0000  -11.0600
            92  C2b C    61.7400  -11.7600
            93  C1a C    63.0000   -9.6600
            94  C1b C    60.4800  -11.0600
            95  C1b C    59.2900  -11.7600
            96  C2c C    58.0300  -11.0600
            97  C2b C    56.7700  -11.7600
            98  C1a C    58.0300   -9.6600
            99  C1b C    55.5100  -11.0600
            100 C1b C    54.3200  -11.7600
            101 C2c C    53.0600  -11.0600
            102 C2b C    51.8000  -11.7600
            103 C1a C    53.0600   -9.6600
            104 C1b C    49.4900  -11.7600
            105 C2c C    48.2300  -11.0600
            106 C1a C    48.2300   -9.6600
            107 C1b C    47.0400  -13.1600
            108 C2b C    47.0400  -11.7600
            109 C1b C    49.4900  -11.7600
            110 C2c C    48.2300  -11.0600
            111 C1a C    48.2300   -9.6600
            112 C1b C    47.0400  -13.1600
            113 C2b C    47.0400  -11.7600
            114 C1b C    49.4900  -11.7600
            115 C2c C    48.2300  -11.0600
            116 C1a C    48.2300   -9.6600
            117 C1b C    47.0400  -13.1600
            118 C2b C    47.0400  -11.7600
            119 C1b C    49.4900  -11.7600
            120 C2c C    48.2300  -11.0600
            121 C1a C    48.2300   -9.6600
            122 C1b C    47.0400  -13.1600
            123 C2b C    47.0400  -11.7600
            124 C1b C    49.4900  -11.7600
            125 C2c C    48.2300  -11.0600
            126 C1a C    48.2300   -9.6600
            127 C1b C    47.0400  -13.1600
            128 C2b C    47.0400  -11.7600
            129 C1b C    49.4900  -11.7600
            130 C2c C    48.2300  -11.0600
            131 C1a C    48.2300   -9.6600
            132 C1b C    47.0400  -13.1600
            133 C2b C    47.0400  -11.7600
            134 C1b C    49.4900  -11.7600
            135 C2c C    48.2300  -11.0600
            136 C1a C    48.2300   -9.6600
            137 C1b C    47.0400  -13.1600
            138 C2b C    47.0400  -11.7600
BOND        140
            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     1   7 1 #Up
            8     7   8 1
            9     2   9 1 #Down
            10    4  10 1 #Down
            11    3  11 1 #Up
            12   12  13 2
            13   12  14 1
            14   12  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   17  20 1 #Down
            20   19  21 1 #Down
            21   19  22 1
            22   18  23 1 #Up
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   26  28 1
            27   26  29 2
            28   27  30 1
            29   30  31 1
            30   30  32 1
            31   30  33 2
            32   34  31 1 #Down
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   38  39 1
            38   34  39 1
            39   36  40 1 #Up
            40   38  41 1 #Up
            41   37  42 1 #Down
            42   39  43 1 #Down
            43   43  44 1
            44   44  45 2
            45   44  46 1
            46   47  42 1 #Up
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 1
            51   51  52 1
            52   47  52 1
            53   49  53 1 #Up
            54   51  54 1 #Up
            55   52  55 1 #Up
            56   50  56 1 #Down
            57   53  57 1
            58   55  58 1
            59   58  59 2
            60   58  60 1
            61   40  61 1
            62   56  62 1
            63   62  63 2
            64   62  64 1
            65   62  65 1
            66   65  66 1
            67   66  67 1
            68   67  68 1
            69   68  69 1
            70   67  70 1 #Up
            71   71  72 2
            72   71  73 1
            73   71  74 1
            74   74  75 1
            75   75  76 1
            76   76  77 1
            77   77  78 1
            78   76  79 1 #Down
            79   69  71 1
            80   78  80 1 #Down
            81   78  81 1
            82   77  82 1 #Up
            83   81  83 1
            84   94  95 1
            85   95  96 1
            86   96  97 2
            87   96  98 1
            88   97  99 1
            89   92  94 1
            90   90  91 1
            91   91  92 2
            92   99 100 1
            93  100 101 1
            94  101 102 2
            95  101 103 1
            96  102  89 1
            97   91  93 1
            98   12  83 1
            99    5  20 1 #Up
            100  85  86 1
            101  85  84 1
            102  87  88 1
            103  88  85 2
            104  25  87 1
            105 105 106 1
            106 105 104 1
            107 107 108 1
            108 108 105 2
            109  84 107 1
            110 110 111 1
            111 110 109 1
            112 112 113 1
            113 113 110 2
            114 104 112 1
            115 115 116 1
            116 115 114 1
            117 117 118 1
            118 118 115 2
            119 109 117 1
            120 120 121 1
            121 120 119 1
            122 122 123 1
            123 123 120 2
            124 114 122 1
            125 125 126 1
            126 125 124 1
            127 127 128 1
            128 128 125 2
            129 119 127 1
            130 130 131 1
            131 130 129 1
            132 132 133 1
            133 133 130 2
            134 124 132 1
            135 135 136 1
            136 135 134 1
            137 137 138 1
            138 138 135 2
            139 129 137 1
            140 134  89 1
BRACKET     1    46.6200  -14.2800   46.6200   -9.0300
            1    49.5600   -9.0300   49.5600  -14.2800
            1  8
 ORIGINAL  1   84  85  86  87  88
 REPEAT    1  104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119
            1  120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135
            1  136 137 138
            2     2.9400  -23.6600    2.9400  -16.7300
            2    12.6000  -16.6600   12.6000  -23.5900
            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  83
 REPEAT    2

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