KEGG   COMPOUND: C20874Help
Entry
C20874                      Compound                               

Name
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;
GlcNAc-(1->4)-MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser)-diphosphoundecaprenol
Formula
C94H156N8O27P2
Exact mass
1891.0555
Mol weight
1892.2294
Structure
Mol fileKCF fileDB search
Pathway
map01502  Vancomycin resistance
Other DBs
PubChem: 254741340
LinkDB All DBs
KCF data Show

ATOM        131
            1   C1y C    49.7000  -37.7300
            2   C1y C    49.7000  -36.3300
            3   C1y C    48.5100  -38.4300
            4   N1b N    51.0300  -38.9200
            5   O2x O    48.5100  -35.7000
            6   O2b O    50.8900  -35.7000
            7   C1y C    47.3200  -37.7300
            8   O2a O    48.5100  -44.2400
            9   C5a C    51.0300  -40.3200
            10  C1y C    47.3200  -36.3300
            11  O2a O    45.2200  -38.2200
            12  C1a C    52.2200  -40.9500
            13  O5a O    49.8400  -41.0200
            14  C1b C    46.2000  -35.7000
            15  O1a O    44.9400  -36.3300
            16  C1b C    62.0200  -32.5500
            17  C1b C    60.9700  -33.2500
            18  C2c C    59.7100  -32.5500
            19  C1a C    59.7100  -31.1500
            20  C1b C    58.5200  -34.6500
            21  C2b C    58.5200  -33.2500
            22  O2b O    56.7700  -35.7000
            23  C1a C    75.7400  -33.2500
            24  C2c C    74.4800  -32.5500
            25  C2b C    73.2200  -33.2500
            26  C1a C    74.4800  -31.1500
            27  C1b C    71.9600  -32.5500
            28  C1b C    70.7700  -33.2500
            29  C2c C    69.5100  -32.5500
            30  C2b C    68.2500  -33.2500
            31  C1a C    69.5100  -31.1500
            32  C1b C    66.9900  -32.5500
            33  C1b C    65.8000  -33.2500
            34  C2c C    64.5400  -32.5500
            35  C2b C    63.2800  -33.2500
            36  C1a C    64.5400  -31.1500
            37  P1b P    55.3000  -35.7000
            38  O2c O    53.8300  -35.7000
            39  O1c O    55.3000  -34.2300
            40  O1c O    55.3000  -37.1700
            41  P1b P    52.3600  -35.7000
            42  O1c O    52.3600  -34.2300
            43  O1c O    52.3600  -37.1700
            44  C1c C    47.3200  -44.9400
            45  C5a C    47.3200  -46.3400
            46  N1b N    46.1300  -47.0400
            47  O5a O    48.5100  -47.0400
            48  C1c C    44.9400  -46.3400
            49  C5a C    43.7500  -47.0400
            50  C1a C    44.9400  -45.0100
            51  N1b N    42.5600  -46.3400
            52  O5a O    43.7500  -48.4400
            53  C1a C    46.1300  -43.8900
            54  C1c C    41.3700  -47.0400
            55  C1b C    40.1800  -46.3400
            56  C6a C    41.3700  -48.4400
            57  O6a O    42.5600  -49.1400
            58  O6a O    40.1800  -49.1400
            59  C1b C    38.9900  -47.0400
            60  C5a C    37.8000  -46.3400
            61  N1b N    36.6100  -47.0400
            62  O5a O    37.8000  -44.9400
            63  C1c C    35.3500  -47.7400
            64  C5a C    35.3500  -49.1400
            65  C1b C    34.1600  -47.0400
            66  C1b C    32.9700  -47.7400
            67  C1b C    31.7800  -47.0400
            68  C1b C    30.5900  -47.7400
            69  N1a N    29.4000  -47.0400
            70  O5a O    34.1600  -49.8400
            71  N1b N    36.5400  -49.8400
            72  C1c C    36.5400  -51.2400
            73  C1a C    35.3500  -51.9400
            74  C5a C    37.8000  -51.9400
            75  N1b N    38.9900  -51.2400
            76  C1c C    40.2500  -51.9400
            77  C6a C    41.4400  -51.2400
            78  O6a O    42.7000  -51.9400
            79  O5a O    37.8700  -53.3400
            80  C1b C    40.2500  -53.3400
            81  O6a O    41.4400  -49.8400
            82  O1a O    41.5100  -54.1100
            83  C1y C    43.2600  -40.0400
            84  C1y C    43.2600  -41.4400
            85  O2x O    42.0700  -39.4100
            86  C1y C    42.0000  -42.0700
            87  N1b N    44.3800  -42.0700
            88  C1y C    40.8800  -40.0400
            89  C1y C    40.8800  -41.3700
            90  C5a C    45.5000  -41.3700
            91  C1b C    39.6900  -39.4100
            92  O1a O    39.6900  -42.0700
            93  O5a O    45.5000  -40.0400
            94  O1a O    39.6900  -38.0100
            95  O1a O    42.0000  -43.4000
            96  C1a C    46.6900  -42.0700
            97  C1b C    60.9700  -33.2500
            98  C2c C    59.7100  -32.5500
            99  C1a C    59.7100  -31.1500
            100 C1b C    58.5200  -34.6500
            101 C2b C    58.5200  -33.2500
            102 C1b C    60.9700  -33.2500
            103 C2c C    59.7100  -32.5500
            104 C1a C    59.7100  -31.1500
            105 C1b C    58.5200  -34.6500
            106 C2b C    58.5200  -33.2500
            107 C1b C    60.9700  -33.2500
            108 C2c C    59.7100  -32.5500
            109 C1a C    59.7100  -31.1500
            110 C1b C    58.5200  -34.6500
            111 C2b C    58.5200  -33.2500
            112 C1b C    60.9700  -33.2500
            113 C2c C    59.7100  -32.5500
            114 C1a C    59.7100  -31.1500
            115 C1b C    58.5200  -34.6500
            116 C2b C    58.5200  -33.2500
            117 C1b C    60.9700  -33.2500
            118 C2c C    59.7100  -32.5500
            119 C1a C    59.7100  -31.1500
            120 C1b C    58.5200  -34.6500
            121 C2b C    58.5200  -33.2500
            122 C1b C    60.9700  -33.2500
            123 C2c C    59.7100  -32.5500
            124 C1a C    59.7100  -31.1500
            125 C1b C    58.5200  -34.6500
            126 C2b C    58.5200  -33.2500
            127 C1b C    60.9700  -33.2500
            128 C2c C    59.7100  -32.5500
            129 C1a C    59.7100  -31.1500
            130 C1b C    58.5200  -34.6500
            131 C2b C    58.5200  -33.2500
BOND        132
            1     7  10 1
            2     1   2 1
            3     1   3 1
            4     1   4 1 #Down
            5     2   5 1
            6     2   6 1 #Down
            7     3   7 1
            8     3   8 1 #Up
            9     4   9 1
            10    5  10 1
            11    7  11 1 #Down
            12    9  12 1
            13    9  13 2
            14   10  14 1 #Up
            15   14  15 1
            16   27  28 1
            17   28  29 1
            18   29  30 2
            19   29  31 1
            20   30  32 1
            21   25  27 1
            22   23  24 1
            23   24  25 2
            24   32  33 1
            25   33  34 1
            26   34  35 2
            27   34  36 1
            28   35  16 1
            29   24  26 1
            30   22  37 1
            31   37  38 1
            32   37  39 1
            33   37  40 2
            34   38  41 1
            35   41   6 1
            36   41  42 1
            37   41  43 2
            38    8  44 1
            39   44  45 1
            40   45  46 1
            41   45  47 2
            42   48  46 1 #Down
            43   48  49 1
            44   48  50 1
            45   49  51 1
            46   49  52 2
            47   44  53 1 #Up
            48   54  51 1 #Up
            49   54  55 1
            50   54  56 1
            51   56  57 2
            52   56  58 1
            53   55  59 1
            54   59  60 1
            55   60  61 1
            56   60  62 2
            57   63  61 1 #Down
            58   63  64 1
            59   63  65 1
            60   65  66 1
            61   66  67 1
            62   67  68 1
            63   68  69 1
            64   64  70 2
            65   64  71 1
            66   72  71 1 #Up
            67   72  73 1
            68   72  74 1
            69   74  75 1
            70   76  75 1 #Up
            71   76  77 1
            72   77  78 1
            73   74  79 2
            74   76  80 1
            75   77  81 2
            76   80  82 1
            77   83  11 1 #Up
            78   83  84 1
            79   83  85 1
            80   84  86 1
            81   84  87 1 #Down
            82   85  88 1
            83   86  89 1
            84   87  90 1
            85   88  91 1 #Up
            86   89  92 1 #Down
            87   90  93 2
            88   91  94 1
            89   88  89 1
            90   86  95 1 #Up
            91   90  96 1
            92   16  17 1
            93   18  19 1
            94   18  17 1
            95   20  21 1
            96   21  18 2
            97   20  97 1
            98   98  99 1
            99   98  97 1
            100 100 101 1
            101 101  98 2
            102 100 102 1
            103 103 104 1
            104 103 102 1
            105 105 106 1
            106 106 103 2
            107 105 107 1
            108 108 109 1
            109 108 107 1
            110 110 111 1
            111 111 108 2
            112 110 112 1
            113 113 114 1
            114 113 112 1
            115 115 116 1
            116 116 113 2
            117 115 117 1
            118 118 119 1
            119 118 117 1
            120 120 121 1
            121 121 118 2
            122 120 122 1
            123 123 124 1
            124 123 122 1
            125 125 126 1
            126 126 123 2
            127 125 127 1
            128 128 129 1
            129 128 127 1
            130 130 131 1
            131 131 128 2
            132 130  22 1
BRACKET     1    58.1700  -35.6300   58.1700  -30.4500
            1    61.1100  -30.4500   61.1100  -35.6300
            1  8
 ORIGINAL  1   17  18  19  20  21
 REPEAT    1   97  98  99 100 101 102 103 104 105 106 107 108 109 110 111 112
            1  113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128
            1  129 130 131

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