KEGG   COMPOUND: C21503
Entry
C21503                      Compound                               
Name
4-O-[1-D-Ribitylphospho-(2R)-1-glycerophospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
Formula
C79H136N2O29P4
Exact mass
1700.8179
Mol weight
1701.8162
Structure
Remark
Same as: G13168
Reaction
R11613 R11614
Pathway
map00552  Teichoic acid biosynthesis
Enzyme
2.7.8.46        2.7.8.47
Other DBs
PubChem: 333497486
KCF data

ATOM        114
            1   C1b C    40.1800  -11.7600
            2   C1b C    39.1300  -12.4600
            3   C2c C    37.8700  -11.7600
            4   C1a C    37.8700  -10.3600
            5   C1b C    36.6800  -13.8600
            6   C2b C    36.6800  -12.4600
            7   O2b O    34.9300  -14.9100
            8   C1a C    53.9000  -12.4600
            9   C2c C    52.6400  -11.7600
            10  C2b C    51.3800  -12.4600
            11  C1a C    52.6400  -10.3600
            12  C1b C    50.1200  -11.7600
            13  C1b C    48.9300  -12.4600
            14  C2c C    47.6700  -11.7600
            15  C2b C    46.4100  -12.4600
            16  C1a C    47.6700  -10.3600
            17  C1b C    45.1500  -11.7600
            18  C1b C    43.9600  -12.4600
            19  C2c C    42.7000  -11.7600
            20  C2b C    41.4400  -12.4600
            21  C1a C    42.7000  -10.3600
            22  P1b P    33.4600  -14.9100
            23  O2c O    31.9900  -14.9100
            24  O1c O    33.4600  -13.4400
            25  O1c O    33.4600  -16.3800
            26  P1b P    30.5200  -14.9100
            27  O2b O    29.0500  -14.9100
            28  O1c O    30.5200  -13.4400
            29  O1c O    30.5200  -16.3800
            30  C1y C    27.8600  -15.6100
            31  O2x O    26.6700  -14.9100
            32  C1y C    25.4100  -15.6100
            33  C1y C    25.4100  -17.0100
            34  C1y C    26.6000  -17.7100
            35  C1y C    27.8600  -17.0100
            36  C1b C    24.2200  -14.9100
            37  O1a O    26.6000  -19.1100
            38  O2a O    24.2200  -17.7100
            39  N1b N    29.0500  -17.7100
            40  C5a C    29.0500  -19.1100
            41  O5a O    27.8600  -19.8100
            42  C1a C    30.2400  -19.8100
            43  C1y C    23.0300  -18.4100
            44  O2x O    21.8400  -17.7100
            45  C1y C    20.5800  -18.4100
            46  C1y C    20.5800  -19.8100
            47  C1y C    21.7700  -20.5100
            48  C1y C    23.0300  -19.8100
            49  C1b C    19.3900  -17.7100
            50  O1a O    21.7700  -21.9100
            51  N1b N    24.2200  -20.5100
            52  O2b O    19.3900  -20.5100
            53  O1a O    19.3900  -16.3100
            54  C5a C    24.2200  -21.9100
            55  O5a O    23.0300  -22.6100
            56  C1a C    25.4100  -22.6100
            57  O1a O    24.2200  -13.5100
            58  P1b P    17.9900  -20.5100
            59  O1c O    17.9900  -19.1100
            60  O1c O    17.9900  -21.9100
            61  O2b O    16.5900  -20.5100
            62  C1b C    15.4000  -21.2100
            63  C1c C    14.1400  -20.5100
            64  C1b C    12.9500  -21.2100
            65  O2b O    11.7600  -20.5100
            66  O1a O    14.1400  -19.1100
            67  P1b P    10.3600  -20.5100
            68  O1c O    10.3600  -19.1100
            69  O1c O    10.3600  -21.9100
            70  O2b O     8.9600  -20.5100
            71  C1b C     7.7700  -21.2100
            72  C1c C     6.5100  -20.5100
            73  C1c C     5.3200  -21.2100
            74  C1c C     4.1300  -20.5100
            75  O1a O     6.5100  -19.1100
            76  O1a O     4.1300  -19.1100
            77  C1b C     2.9400  -21.2100
            78  O1a O     5.3200  -22.6100
            79  O1a O     1.7500  -20.5100
            80  C1b C    39.1300  -12.4600
            81  C2c C    37.8700  -11.7600
            82  C1a C    37.8700  -10.3600
            83  C1b C    36.6800  -13.8600
            84  C2b C    36.6800  -12.4600
            85  C1b C    39.1300  -12.4600
            86  C2c C    37.8700  -11.7600
            87  C1a C    37.8700  -10.3600
            88  C1b C    36.6800  -13.8600
            89  C2b C    36.6800  -12.4600
            90  C1b C    39.1300  -12.4600
            91  C2c C    37.8700  -11.7600
            92  C1a C    37.8700  -10.3600
            93  C1b C    36.6800  -13.8600
            94  C2b C    36.6800  -12.4600
            95  C1b C    39.1300  -12.4600
            96  C2c C    37.8700  -11.7600
            97  C1a C    37.8700  -10.3600
            98  C1b C    36.6800  -13.8600
            99  C2b C    36.6800  -12.4600
            100 C1b C    39.1300  -12.4600
            101 C2c C    37.8700  -11.7600
            102 C1a C    37.8700  -10.3600
            103 C1b C    36.6800  -13.8600
            104 C2b C    36.6800  -12.4600
            105 C1b C    39.1300  -12.4600
            106 C2c C    37.8700  -11.7600
            107 C1a C    37.8700  -10.3600
            108 C1b C    36.6800  -13.8600
            109 C2b C    36.6800  -12.4600
            110 C1b C    39.1300  -12.4600
            111 C2c C    37.8700  -11.7600
            112 C1a C    37.8700  -10.3600
            113 C1b C    36.6800  -13.8600
            114 C2b C    36.6800  -12.4600
BOND        115
            1    12  13 1
            2    13  14 1
            3    14  15 2
            4    14  16 1
            5    15  17 1
            6    10  12 1
            7     8   9 1
            8     9  10 2
            9    17  18 1
            10   18  19 1
            11   19  20 2
            12   19  21 1
            13   20   1 1
            14    9  11 1
            15    7  22 1
            16   22  23 1
            17   22  24 1
            18   22  25 2
            19   23  26 1
            20   26  27 1
            21   26  28 1
            22   26  29 2
            23   30  27 1 #Down
            24   30  31 1
            25   31  32 1
            26   32  33 1
            27   33  34 1
            28   34  35 1
            29   30  35 1
            30   32  36 1 #Up
            31   34  37 1 #Up
            32   33  38 1 #Down
            33   35  39 1 #Down
            34   39  40 1
            35   40  41 2
            36   40  42 1
            37   43  38 1 #Up
            38   43  44 1
            39   44  45 1
            40   45  46 1
            41   46  47 1
            42   47  48 1
            43   43  48 1
            44   45  49 1 #Up
            45   47  50 1 #Up
            46   48  51 1 #Up
            47   46  52 1 #Down
            48   49  53 1
            49   51  54 1
            50   54  55 2
            51   54  56 1
            52   36  57 1
            53   52  58 1
            54   58  59 2
            55   58  60 1
            56   58  61 1
            57   61  62 1
            58   62  63 1
            59   63  64 1
            60   64  65 1
            61   63  66 1 #Up
            62   67  68 2
            63   67  69 1
            64   67  70 1
            65   70  71 1
            66   71  72 1
            67   72  73 1
            68   73  74 1
            69   72  75 1 #Down
            70   65  67 1
            71   74  76 1 #Down
            72   74  77 1
            73   73  78 1 #Up
            74   77  79 1
            75    1   2 1
            76    3   4 1
            77    3   2 1
            78    5   6 1
            79    6   3 2
            80    5  80 1
            81   81  82 1
            82   81  80 1
            83   83  84 1
            84   84  81 2
            85   83  85 1
            86   86  87 1
            87   86  85 1
            88   88  89 1
            89   89  86 2
            90   88  90 1
            91   91  92 1
            92   91  90 1
            93   93  94 1
            94   94  91 2
            95   93  95 1
            96   96  97 1
            97   96  95 1
            98   98  99 1
            99   99  96 2
            100  98 100 1
            101 101 102 1
            102 101 100 1
            103 103 104 1
            104 104 101 2
            105 103 105 1
            106 106 107 1
            107 106 105 1
            108 108 109 1
            109 109 106 2
            110 108 110 1
            111 111 112 1
            112 111 110 1
            113 113 114 1
            114 114 111 2
            115 113   7 1
BRACKET     1    36.2600  -14.9800   36.2600   -9.7300
            1    39.2000   -9.7300   39.2000  -14.9800
            1  8
 ORIGINAL  1    2   3   4   5   6
 REPEAT    1   80  81  82  83  84  85  86  87  88  89  90  91  92  93  94  95
            1   96  97  98  99 100 101 102 103 104 105 106 107 108 109 110 111
            1  112 113 114

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Chemical substance (2)   
   KEGG GLYCAN (1)   
   PubChem (1)   
Chemical reaction (4)   
   KEGG ENZYME (2)   
   KEGG REACTION (2)   
Gene (441)   
   KEGG GENES (441)   
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