KEGG   COMPOUND: C17549Help
Entry
C17549                      Compound                               

Name
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine
Formula
C100H166N10O28P2
Exact mass
2017.1348
Mol weight
2018.3858
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00550  Peptidoglycan biosynthesis
map01100  Metabolic pathways
Enzyme
2.3.2.-
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C17549  Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine
BRITE hierarchy
Other DBs
PubChem: 96023894
ChEBI: 81176
LinkDB All DBs
KCF data Show

ATOM        140
            1   C1y C    35.1400  -19.2500
            2   C1y C    33.9500  -18.5500
            3   C1y C    36.2600  -18.6200
            4   O2a O    35.1400  -22.6800
            5   C1y C    33.9500  -17.2200
            6   O2a O    31.8500  -18.7600
            7   C1y C    36.2600  -17.2200
            8   N1b N    37.4500  -19.2500
            9   C1c C    33.9500  -23.3800
            10  O2x O    35.1400  -16.5200
            11  C1b C    32.7600  -16.5200
            12  C1y C    30.0300  -19.8800
            13  O2b O    37.4500  -16.5200
            14  C5a C    33.9500  -24.7100
            15  C1a C    32.7600  -22.6800
            16  O1a O    32.7600  -15.1900
            17  C1y C    30.0300  -21.2800
            18  O2x O    28.8400  -19.2500
            19  N1b N    32.7600  -25.3400
            20  O5a O    35.0700  -25.4100
            21  C1y C    28.7700  -21.9100
            22  N1b N    31.1500  -21.9100
            23  C1y C    27.6500  -19.8800
            24  C1c C    31.6400  -26.0400
            25  C1y C    27.6500  -21.2100
            26  O1a O    28.7700  -23.2400
            27  C5a C    32.2700  -21.2100
            28  C1b C    26.4600  -19.2500
            29  C5a C    30.4500  -25.3400
            30  C1a C    31.6400  -27.3700
            31  O1a O    26.4600  -21.9100
            32  C1a C    33.4600  -21.9100
            33  O5a O    32.2700  -19.8800
            34  O1a O    26.4600  -17.8500
            35  N1b N    29.2600  -25.9700
            36  O5a O    30.4500  -24.0100
            37  C1c C    28.0700  -25.2700
            38  C1b C    26.8800  -25.9700
            39  C6a C    27.3700  -24.2900
            40  C1b C    25.7600  -25.2700
            41  O6a O    25.8300  -24.5700
            42  O6a O    27.3700  -22.8900
            43  C5a C    24.5700  -25.9700
            44  N1b N    23.3800  -25.2700
            45  O5a O    24.5700  -27.3700
            46  C1c C    22.1900  -25.9700
            47  C5a C    21.0000  -25.2700
            48  C1b C    22.1900  -27.3700
            49  N1b N    19.8800  -25.9700
            50  O5a O    21.0000  -23.9400
            51  C1b C    21.0000  -28.0000
            52  C1c C    18.6200  -26.6000
            53  C1b C    21.0000  -29.4000
            54  C5a C    17.5000  -25.9000
            55  C1a C    18.6200  -28.0000
            56  C1b C    19.8100  -30.0300
            57  N1b N    16.3100  -26.6000
            58  O5a O    17.5000  -24.5700
            59  N1b N    19.8100  -31.3600
            60  C1c C    15.1200  -27.2300
            61  C6a C    13.9300  -26.6000
            62  C1a C    15.1200  -28.6300
            63  O6a O    12.7400  -27.2300
            64  O6a O    14.0000  -25.2000
            65  C1b C    48.5800  -13.3700
            66  C1b C    47.5300  -14.0700
            67  C2c C    46.2700  -13.3700
            68  C1a C    46.2700  -11.9700
            69  C1b C    45.0800  -15.4700
            70  C2b C    45.0800  -14.0700
            71  O2b O    43.3300  -16.5200
            72  C1a C    62.3000  -14.0700
            73  C2c C    61.0400  -13.3700
            74  C2b C    59.7800  -14.0700
            75  C1a C    61.0400  -11.9700
            76  C1b C    58.5200  -13.3700
            77  C1b C    57.3300  -14.0700
            78  C2c C    56.0700  -13.3700
            79  C2b C    54.8100  -14.0700
            80  C1a C    56.0700  -11.9700
            81  C1b C    53.5500  -13.3700
            82  C1b C    52.3600  -14.0700
            83  C2c C    51.1000  -13.3700
            84  C2b C    49.8400  -14.0700
            85  C1a C    51.1000  -11.9700
            86  P1b P    41.8600  -16.5200
            87  O2c O    40.3900  -16.5200
            88  O1c O    41.8600  -15.0500
            89  O1c O    41.8600  -17.9900
            90  P1b P    38.9200  -16.5200
            91  O1c O    38.9200  -15.0500
            92  O1c O    38.9200  -17.9900
            93  C5a C    38.4300  -20.2300
            94  C1a C    40.0400  -19.6700
            95  O5a O    38.4300  -21.6300
            96  N1b N    16.1700  -32.0600
            97  C1c C    17.4300  -31.3600
            98  C5a C    18.6200  -32.0600
            99  C1a C    17.4300  -29.9600
            100 O5a O    18.6200  -33.4600
            101 N1a N    12.5300  -32.7600
            102 C1c C    13.7900  -32.0600
            103 C5a C    14.9800  -32.7600
            104 C1a C    13.7900  -30.6600
            105 O5a O    14.9800  -34.1600
            106 C1b C    47.5300  -14.0700
            107 C2c C    46.2700  -13.3700
            108 C1a C    46.2700  -11.9700
            109 C1b C    45.0800  -15.4700
            110 C2b C    45.0800  -14.0700
            111 C1b C    47.5300  -14.0700
            112 C2c C    46.2700  -13.3700
            113 C1a C    46.2700  -11.9700
            114 C1b C    45.0800  -15.4700
            115 C2b C    45.0800  -14.0700
            116 C1b C    47.5300  -14.0700
            117 C2c C    46.2700  -13.3700
            118 C1a C    46.2700  -11.9700
            119 C1b C    45.0800  -15.4700
            120 C2b C    45.0800  -14.0700
            121 C1b C    47.5300  -14.0700
            122 C2c C    46.2700  -13.3700
            123 C1a C    46.2700  -11.9700
            124 C1b C    45.0800  -15.4700
            125 C2b C    45.0800  -14.0700
            126 C1b C    47.5300  -14.0700
            127 C2c C    46.2700  -13.3700
            128 C1a C    46.2700  -11.9700
            129 C1b C    45.0800  -15.4700
            130 C2b C    45.0800  -14.0700
            131 C1b C    47.5300  -14.0700
            132 C2c C    46.2700  -13.3700
            133 C1a C    46.2700  -11.9700
            134 C1b C    45.0800  -15.4700
            135 C2b C    45.0800  -14.0700
            136 C1b C    47.5300  -14.0700
            137 C2c C    46.2700  -13.3700
            138 C1a C    46.2700  -11.9700
            139 C1b C    45.0800  -15.4700
            140 C2b C    45.0800  -14.0700
BOND        141
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11   12   6 1 #Up
            12    7  13 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   11  16 1
            16   12  17 1
            17   12  18 1
            18   14  19 1
            19   14  20 2
            20   17  21 1
            21   17  22 1 #Down
            22   18  23 1
            23   24  19 1 #Up
            24   21  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   23  28 1 #Up
            28   24  29 1
            29   24  30 1
            30   25  31 1 #Down
            31   27  32 1
            32   27  33 2
            33   28  34 1
            34   29  35 1
            35   29  36 2
            36   37  35 1 #Down
            37   37  38 1
            38   37  39 1
            39   38  40 1
            40   39  41 1
            41   39  42 2
            42   40  43 1
            43   43  44 1
            44   43  45 2
            45   46  44 1 #Up
            46   46  47 1
            47   46  48 1
            48   47  49 1
            49   47  50 2
            50   48  51 1
            51   52  49 1 #Down
            52   51  53 1
            53   52  54 1
            54   52  55 1
            55   53  56 1
            56   54  57 1
            57   54  58 2
            58   56  59 1
            59   60  57 1 #Down
            60   60  61 1
            61   60  62 1
            62   61  63 1
            63   61  64 2
            64    7  10 1
            65   23  25 1
            66   76  77 1
            67   77  78 1
            68   78  79 2
            69   78  80 1
            70   79  81 1
            71   74  76 1
            72   72  73 1
            73   73  74 2
            74   81  82 1
            75   82  83 1
            76   83  84 2
            77   83  85 1
            78   84  65 1
            79   73  75 1
            80   71  86 1
            81   86  87 1
            82   86  88 1
            83   86  89 2
            84   87  90 1
            85   90  13 1
            86   90  91 1
            87   90  92 2
            88    8  93 1
            89   93  94 1
            90   93  95 2
            91   97  96 1 #Up
            92   97  98 1
            93   98  59 1
            94   97  99 1
            95   98 100 2
            96  102 101 1 #Up
            97  102 103 1
            98  103  96 1
            99  102 104 1
            100 103 105 2
            101  65  66 1
            102  67  68 1
            103  67  66 1
            104  69  70 1
            105  70  67 2
            106  69 106 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
            131 129 131 1
            132 132 133 1
            133 132 131 1
            134 134 135 1
            135 135 132 2
            136 134 136 1
            137 137 138 1
            138 137 136 1
            139 139 140 1
            140 140 137 2
            141 139  71 1
BRACKET     1    44.8000  -16.5900   44.8000  -11.3400
            1    47.8100  -11.3400   47.8100  -16.5900
            1  8
 ORIGINAL  1   66  67  68  69  70
 REPEAT    1  106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121
            1  122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137
            1  138 139 140

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