KEGG   COMPOUND: C17542Help
Entry
C17542                      Compound                               

Name
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;
Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala
Formula
C100H166N12O28P2
Exact mass
2045.141
Mol weight
2046.3992
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00550  Peptidoglycan biosynthesis
map01100  Metabolic pathways
Enzyme
2.3.2.17        2.3.2.18
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C17542  Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine
BRITE hierarchy
Other DBs
PubChem: 96023887
ChEBI: 62231
LinkDB All DBs
KCF data Show

ATOM        142
            1   C1y C    34.9300  -19.6000
            2   C1y C    33.8100  -18.9000
            3   C1y C    36.1200  -18.9000
            4   O2a O    34.9300  -23.0300
            5   C1y C    33.8100  -17.5700
            6   O2a O    31.6400  -19.1100
            7   C1y C    36.1200  -17.5700
            8   N1b N    37.3100  -19.6000
            9   C1c C    33.8100  -23.6600
            10  O2x O    35.0000  -16.8700
            11  C1b C    32.6200  -16.8700
            12  C1y C    29.8200  -20.2300
            13  O2b O    37.3100  -16.8700
            14  C5a C    37.2400  -20.9300
            15  C5a C    33.8100  -24.9900
            16  C1a C    32.6200  -23.0300
            17  O1a O    32.6200  -15.5400
            18  C1y C    29.8200  -21.5600
            19  O2x O    28.6300  -19.5300
            20  C1a C    36.0500  -21.5600
            21  O5a O    38.4300  -21.6300
            22  N1b N    32.6200  -25.6900
            23  O5a O    34.9300  -25.6900
            24  C1y C    28.6300  -22.2600
            25  N1b N    30.9400  -22.2600
            26  C1y C    27.5100  -20.1600
            27  C1c C    31.4300  -26.3900
            28  C1y C    27.5100  -21.5600
            29  O1a O    28.6300  -23.5900
            30  C5a C    32.1300  -21.5600
            31  C1b C    26.3200  -19.5300
            32  C5a C    30.3100  -25.6200
            33  C1a C    31.4300  -27.7200
            34  O1a O    26.3200  -22.1900
            35  C1a C    33.3200  -22.1900
            36  O5a O    32.1300  -20.1600
            37  O1a O    26.3200  -18.2000
            38  N1b N    29.1200  -26.3200
            39  O5a O    30.3100  -24.2900
            40  C1c C    27.9300  -25.6200
            41  C1b C    26.7400  -26.3200
            42  C5a C    27.5800  -24.2900
            43  C1b C    25.5500  -25.6200
            44  N1a N    26.1800  -24.5000
            45  O5a O    27.5800  -22.9600
            46  C5a C    24.3600  -26.3200
            47  N1b N    23.1700  -25.6200
            48  O5a O    24.3600  -27.6500
            49  C1c C    22.0500  -26.3200
            50  C5a C    20.8600  -25.6200
            51  C1b C    21.9800  -27.6500
            52  N1b N    19.6700  -26.2500
            53  O5a O    20.8600  -24.2200
            54  C1b C    20.7900  -28.3500
            55  C1c C    18.4800  -26.9500
            56  C1b C    20.7900  -29.6800
            57  C5a C    17.2900  -26.2500
            58  C1a C    18.4800  -28.2800
            59  C1b C    19.6000  -30.3800
            60  N1b N    16.1000  -26.9500
            61  O5a O    17.2900  -24.8500
            62  N1b N    19.6000  -31.7100
            63  C1c C    14.9800  -27.5800
            64  C6a C    13.7900  -26.8800
            65  C1a C    14.9800  -28.9800
            66  O6a O    12.6000  -27.5800
            67  O6a O    13.7900  -25.5500
            68  C1b C    48.4400  -13.7200
            69  C1b C    47.3900  -14.4200
            70  C2c C    46.1300  -13.7200
            71  C1a C    46.1300  -12.3200
            72  C1b C    44.9400  -15.8200
            73  C2b C    44.9400  -14.4200
            74  O2b O    43.1900  -16.8700
            75  C1a C    62.1600  -14.4200
            76  C2c C    60.9000  -13.7200
            77  C2b C    59.6400  -14.4200
            78  C1a C    60.9000  -12.3200
            79  C1b C    58.3800  -13.7200
            80  C1b C    57.1900  -14.4200
            81  C2c C    55.9300  -13.7200
            82  C2b C    54.6700  -14.4200
            83  C1a C    55.9300  -12.3200
            84  C1b C    53.4100  -13.7200
            85  C1b C    52.2200  -14.4200
            86  C2c C    50.9600  -13.7200
            87  C2b C    49.7000  -14.4200
            88  C1a C    50.9600  -12.3200
            89  P1b P    41.7200  -16.8700
            90  O2c O    40.2500  -16.8700
            91  O1c O    41.7200  -15.4000
            92  O1c O    41.7200  -18.3400
            93  P1b P    38.7800  -16.8700
            94  O1c O    38.7800  -15.4000
            95  O1c O    38.7800  -18.3400
            96  C5a C    20.8124  -32.4100
            97  C1b C    22.0249  -31.7100
            98  N1b N    23.2373  -32.4100
            99  O5a O    20.8124  -33.8100
            100 C5a C    24.4524  -31.7100
            101 C1b C    25.6649  -32.4100
            102 N1b N    26.8773  -31.7100
            103 C5a C    28.0897  -32.4100
            104 C1b C    29.3022  -31.7100
            105 N1a N    30.5146  -32.4100
            106 O5a O    24.4524  -30.3100
            107 O5a O    28.0897  -33.8100
            108 C1b C    47.3900  -14.4200
            109 C2c C    46.1300  -13.7200
            110 C1a C    46.1300  -12.3200
            111 C1b C    44.9400  -15.8200
            112 C2b C    44.9400  -14.4200
            113 C1b C    47.3900  -14.4200
            114 C2c C    46.1300  -13.7200
            115 C1a C    46.1300  -12.3200
            116 C1b C    44.9400  -15.8200
            117 C2b C    44.9400  -14.4200
            118 C1b C    47.3900  -14.4200
            119 C2c C    46.1300  -13.7200
            120 C1a C    46.1300  -12.3200
            121 C1b C    44.9400  -15.8200
            122 C2b C    44.9400  -14.4200
            123 C1b C    47.3900  -14.4200
            124 C2c C    46.1300  -13.7200
            125 C1a C    46.1300  -12.3200
            126 C1b C    44.9400  -15.8200
            127 C2b C    44.9400  -14.4200
            128 C1b C    47.3900  -14.4200
            129 C2c C    46.1300  -13.7200
            130 C1a C    46.1300  -12.3200
            131 C1b C    44.9400  -15.8200
            132 C2b C    44.9400  -14.4200
            133 C1b C    47.3900  -14.4200
            134 C2c C    46.1300  -13.7200
            135 C1a C    46.1300  -12.3200
            136 C1b C    44.9400  -15.8200
            137 C2b C    44.9400  -14.4200
            138 C1b C    47.3900  -14.4200
            139 C2c C    46.1300  -13.7200
            140 C1a C    46.1300  -12.3200
            141 C1b C    44.9400  -15.8200
            142 C2b C    44.9400  -14.4200
BOND        143
            1    46  48 2
            2    49  47 1 #Up
            3    49  50 1
            4    49  51 1
            5    50  52 1
            6    50  53 2
            7    51  54 1
            8    55  52 1 #Down
            9    54  56 1
            10   55  57 1
            11   55  58 1
            12   56  59 1
            13   57  60 1
            14   57  61 2
            15   59  62 1
            16   63  60 1 #Down
            17   63  64 1
            18   63  65 1
            19   64  66 1
            20   64  67 2
            21    7  10 1
            22   26  28 1
            23    1   2 1
            24    1   3 1
            25    1   4 1 #Up
            26    2   5 1
            27    2   6 1 #Down
            28    3   7 1
            29    3   8 1 #Down
            30    4   9 1
            31    5  10 1
            32    5  11 1 #Up
            33   12   6 1 #Up
            34    7  13 1 #Down
            35    8  14 1
            36    9  15 1
            37    9  16 1 #Up
            38   11  17 1
            39   12  18 1
            40   12  19 1
            41   14  20 1
            42   14  21 2
            43   15  22 1
            44   15  23 2
            45   18  24 1
            46   18  25 1 #Down
            47   19  26 1
            48   27  22 1 #Up
            49   24  28 1
            50   24  29 1 #Up
            51   25  30 1
            52   26  31 1 #Up
            53   27  32 1
            54   27  33 1
            55   28  34 1 #Down
            56   30  35 1
            57   30  36 2
            58   31  37 1
            59   32  38 1
            60   32  39 2
            61   40  38 1 #Down
            62   40  41 1
            63   40  42 1
            64   41  43 1
            65   42  44 1
            66   42  45 2
            67   43  46 1
            68   46  47 1
            69   79  80 1
            70   80  81 1
            71   81  82 2
            72   81  83 1
            73   82  84 1
            74   77  79 1
            75   75  76 1
            76   76  77 2
            77   84  85 1
            78   85  86 1
            79   86  87 2
            80   86  88 1
            81   87  68 1
            82   76  78 1
            83   74  89 1
            84   89  90 1
            85   89  91 1
            86   89  92 2
            87   90  93 1
            88   93  13 1
            89   93  94 1
            90   93  95 2
            91   62  96 1
            92   96  97 1
            93   97  98 1
            94   96  99 2
            95   98 100 1
            96  100 101 1
            97  101 102 1
            98  102 103 1
            99  103 104 1
            100 104 105 1
            101 100 106 2
            102 103 107 2
            103  68  69 1
            104  70  71 1
            105  70  69 1
            106  72  73 1
            107  73  70 2
            108  72 108 1
            109 109 110 1
            110 109 108 1
            111 111 112 1
            112 112 109 2
            113 111 113 1
            114 114 115 1
            115 114 113 1
            116 116 117 1
            117 117 114 2
            118 116 118 1
            119 119 120 1
            120 119 118 1
            121 121 122 1
            122 122 119 2
            123 121 123 1
            124 124 125 1
            125 124 123 1
            126 126 127 1
            127 127 124 2
            128 126 128 1
            129 129 130 1
            130 129 128 1
            131 131 132 1
            132 132 129 2
            133 131 133 1
            134 134 135 1
            135 134 133 1
            136 136 137 1
            137 137 134 2
            138 136 138 1
            139 139 140 1
            140 139 138 1
            141 141 142 1
            142 142 139 2
            143 141  74 1
BRACKET     1    44.6600  -16.8700   44.6600  -11.6900
            1    47.6000  -11.6900   47.6000  -16.8700
            1  8
 ORIGINAL  1   69  70  71  72  73
 REPEAT    1  108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123
            1  124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139
            1  140 141 142

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