KEGG   COMPOUND: C20875Help
Entry
C20875                      Compound                               

Name
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;
GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol;
GlcNAc-(1->4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac)-diphosphoundecaprenol
Formula
C94H155N7O27P2
Exact mass
1876.0446
Mol weight
1877.2147
Structure
Mol fileKCF fileDB search
Pathway
map01502  Vancomycin resistance
Other DBs
PubChem: 254741341
LinkDB All DBs
KCF data Show

ATOM        130
            1   C1b C    32.1300   -9.5200
            2   C1b C    31.0800  -10.2200
            3   C2c C    29.8200   -9.5200
            4   C1a C    29.8200   -8.1200
            5   C1b C    28.6300  -11.6200
            6   C2b C    28.6300  -10.2200
            7   C1a C    45.8500  -10.2200
            8   C2c C    44.5900   -9.5200
            9   C2b C    43.3300  -10.2200
            10  C1a C    44.5900   -8.1200
            11  C1b C    42.0700   -9.5200
            12  C1b C    40.8800  -10.2200
            13  C2c C    39.6200   -9.5200
            14  C2b C    38.3600  -10.2200
            15  C1a C    39.6200   -8.1200
            16  C1b C    37.1000   -9.5200
            17  C1b C    35.9100  -10.2200
            18  C2c C    34.6500   -9.5200
            19  C2b C    33.3900  -10.2200
            20  C1a C    34.6500   -8.1200
            21  C1y C    20.3700  -12.8100
            22  C1y C    20.3700  -14.2100
            23  O2x O    19.1800  -12.1100
            24  O2b O    21.5600  -12.1100
            25  C1y C    19.1800  -14.9100
            26  N1b N    21.6300  -14.9100
            27  C1y C    17.9900  -12.8100
            28  P1b P    22.9600  -12.1100
            29  C1y C    17.9900  -14.2100
            30  O2a O    19.1800  -20.1600
            31  C5a C    21.6300  -16.3100
            32  C1b C    16.7300  -12.1100
            33  O2c O    24.3600  -12.1100
            34  O1c O    22.9600  -10.7100
            35  O1c O    22.9600  -13.5100
            36  O2a O    15.7500  -14.4900
            37  C1c C    17.9200  -20.7900
            38  C1a C    22.8200  -17.0100
            39  O5a O    20.3700  -17.0100
            40  O1a O    16.7300  -10.7100
            41  P1b P    25.7600  -12.1100
            42  C5a C    17.9200  -21.7000
            43  C1a C    16.7300  -19.7400
            44  O2b O    27.1600  -12.1100
            45  O1c O    25.7600  -10.7100
            46  O1c O    25.7600  -13.5100
            47  N1b N    16.7300  -22.8900
            48  O5a O    19.1800  -22.8900
            49  C1c C    15.5400  -22.1200
            50  C5a C    14.3500  -22.6100
            51  C1a C    15.5400  -20.7900
            52  N1b N    13.0900  -21.9100
            53  O5a O    14.2800  -24.0100
            54  C1c C    11.9000  -22.6100
            55  C1b C    10.7100  -21.9100
            56  C6a C    11.9000  -24.0100
            57  C1b C     9.4500  -22.6100
            58  O6a O    10.6400  -24.7100
            59  O6a O    13.0900  -24.7100
            60  C5a C     8.2600  -21.9100
            61  N1b N     7.0000  -22.6800
            62  O5a O     8.2600  -20.5100
            63  C1c C     5.8100  -23.3100
            64  C1b C     4.6200  -22.6100
            65  C5a C     5.8100  -24.7100
            66  C1b C     4.9700  -21.2800
            67  N1b N     7.0000  -25.4100
            68  O5a O     4.6200  -25.4100
            69  C1b C     3.9900  -20.3000
            70  C1b C     4.3400  -18.9000
            71  N1a N     3.3600  -17.9200
            72  O6a O    13.0900  -27.5100
            73  C6a C    11.8300  -26.8100
            74  C1c C    10.6400  -27.5100
            75  O7a O     9.4500  -26.8100
            76  C7a C     8.1900  -27.5100
            77  C1c C     7.0000  -26.8100
            78  C1a C     5.8100  -27.5100
            79  O6a O     8.1900  -28.9100
            80  C1a C    10.6400  -28.9100
            81  O6a O    11.8300  -25.4100
            82  C1y C    14.0700  -16.1000
            83  C1y C    14.0700  -17.5000
            84  O2x O    12.8800  -15.4700
            85  C1y C    12.8100  -18.1300
            86  N1b N    15.1900  -18.1300
            87  C1y C    11.6900  -16.1000
            88  C1y C    11.6900  -17.4300
            89  C5a C    16.3100  -17.4300
            90  C1b C    10.5000  -15.4700
            91  O1a O    10.5000  -18.1300
            92  O5a O    16.3100  -16.1000
            93  O1a O    10.5000  -14.0700
            94  O1a O    12.8100  -19.4600
            95  C1a C    17.5000  -18.1300
            96  C1b C    31.0800  -10.2200
            97  C2c C    29.8200   -9.5200
            98  C1a C    29.8200   -8.1200
            99  C1b C    28.6300  -11.6200
            100 C2b C    28.6300  -10.2200
            101 C1b C    31.0800  -10.2200
            102 C2c C    29.8200   -9.5200
            103 C1a C    29.8200   -8.1200
            104 C1b C    28.6300  -11.6200
            105 C2b C    28.6300  -10.2200
            106 C1b C    31.0800  -10.2200
            107 C2c C    29.8200   -9.5200
            108 C1a C    29.8200   -8.1200
            109 C1b C    28.6300  -11.6200
            110 C2b C    28.6300  -10.2200
            111 C1b C    31.0800  -10.2200
            112 C2c C    29.8200   -9.5200
            113 C1a C    29.8200   -8.1200
            114 C1b C    28.6300  -11.6200
            115 C2b C    28.6300  -10.2200
            116 C1b C    31.0800  -10.2200
            117 C2c C    29.8200   -9.5200
            118 C1a C    29.8200   -8.1200
            119 C1b C    28.6300  -11.6200
            120 C2b C    28.6300  -10.2200
            121 C1b C    31.0800  -10.2200
            122 C2c C    29.8200   -9.5200
            123 C1a C    29.8200   -8.1200
            124 C1b C    28.6300  -11.6200
            125 C2b C    28.6300  -10.2200
            126 C1b C    31.0800  -10.2200
            127 C2c C    29.8200   -9.5200
            128 C1a C    29.8200   -8.1200
            129 C1b C    28.6300  -11.6200
            130 C2b C    28.6300  -10.2200
BOND        131
            1    11  12 1
            2    12  13 1
            3    13  14 2
            4    13  15 1
            5    14  16 1
            6     9  11 1
            7     7   8 1
            8     8   9 2
            9    16  17 1
            10   17  18 1
            11   18  19 2
            12   18  20 1
            13   19   1 1
            14    8  10 1
            15   21  22 1
            16   21  23 1
            17   21  24 1 #Down
            18   22  25 1
            19   22  26 1 #Down
            20   23  27 1
            21   24  28 1
            22   25  29 1
            23   25  30 1 #Up
            24   26  31 1
            25   27  32 1 #Up
            26   28  33 1
            27   28  34 1
            28   28  35 2
            29   29  36 1 #Down
            30   30  37 1
            31   31  38 1
            32   31  39 2
            33   32  40 1
            34   33  41 1
            35   37  42 1
            36   37  43 1 #Up
            37   41  44 1
            38   41  45 1
            39   41  46 2
            40   42  47 1
            41   42  48 2
            42   49  47 1 #Down
            43   49  50 1
            44   49  51 1
            45   50  52 1
            46   50  53 2
            47   54  52 1 #Up
            48   54  55 1
            49   54  56 1
            50   55  57 1
            51   56  58 1
            52   56  59 2
            53   57  60 1
            54   60  61 1
            55   60  62 2
            56   63  61 1 #Down
            57   63  64 1
            58   63  65 1
            59   64  66 1
            60   65  67 1
            61   65  68 2
            62   66  69 1
            63   69  70 1
            64   70  71 1
            65   27  29 1
            66   72  73 1
            67   73  74 1
            68   74  75 1 #Up
            69   75  76 1
            70   76  77 1
            71   77  78 1
            72   77  67 1 #Up
            73   76  79 2
            74   74  80 1
            75   73  81 2
            76   82  36 1 #Up
            77   82  83 1
            78   82  84 1
            79   83  85 1
            80   83  86 1 #Down
            81   84  87 1
            82   85  88 1
            83   86  89 1
            84   87  90 1 #Up
            85   88  91 1 #Down
            86   89  92 2
            87   90  93 1
            88   87  88 1
            89   85  94 1 #Up
            90   89  95 1
            91    1   2 1
            92    3   4 1
            93    3   2 1
            94    5   6 1
            95    6   3 2
            96    5  96 1
            97   97  98 1
            98   97  96 1
            99   99 100 1
            100 100  97 2
            101  99 101 1
            102 102 103 1
            103 102 101 1
            104 104 105 1
            105 105 102 2
            106 104 106 1
            107 107 108 1
            108 107 106 1
            109 109 110 1
            110 110 107 2
            111 109 111 1
            112 112 113 1
            113 112 111 1
            114 114 115 1
            115 115 112 2
            116 114 116 1
            117 117 118 1
            118 117 116 1
            119 119 120 1
            120 120 117 2
            121 119 121 1
            122 122 123 1
            123 122 121 1
            124 124 125 1
            125 125 122 2
            126 124 126 1
            127 127 128 1
            128 127 126 1
            129 129 130 1
            130 130 127 2
            131 129  44 1
BRACKET     1    28.3500  -12.7400   28.3500   -7.4200
            1    31.3600   -7.4200   31.3600  -12.7400
            1  8
 ORIGINAL  1    2   3   4   5   6
 REPEAT    1   96  97  98  99 100 101 102 103 104 105 106 107 108 109 110 111
            1  112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127
            1  128 129 130

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