KEGG   COMPOUND: C05898Help
Entry
C05898                      Compound                               

Name
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
Formula
C95H156N8O28P2
Exact mass
1919.0504
Mol weight
1920.2395
Structure
Mol fileKCF fileDB search
Remark
Same as: G10555
Reaction
Pathway
map00550  Peptidoglycan biosynthesis
Enzyme
2.4.1.129       2.4.1.227
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C05898  Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
BRITE hierarchy
Other DBs
PubChem: 8186
ChEBI: 28138
3DMET: B05134
NIKKAJI: J2.760.508G
KCF data Show

ATOM        133
            1   O2a O    29.7500  -16.3800
            2   C1y C    26.8800  -17.7100
            3   C1y C    26.8800  -19.1100
            4   O2x O    25.6900  -17.0100
            5   C1y C    25.6900  -19.7400
            6   N1b N    28.0700  -19.7400
            7   C1y C    24.5000  -17.7100
            8   C1y C    24.5000  -19.0400
            9   O1a O    25.6900  -21.1400
            10  C5a C    29.2600  -19.0400
            11  C1b C    23.3100  -17.0100
            12  O1a O    23.3100  -19.7400
            13  C1a C    30.3800  -19.7400
            14  O5a O    29.2600  -17.6400
            15  O1a O    23.3100  -15.6100
            16  C1y C    35.3500  -16.5900
            17  C1y C    34.0900  -17.2900
            18  C1y C    35.3500  -15.1900
            19  N1b N    36.6100  -17.5700
            20  C1y C    32.9000  -16.5900
            21  O2a O    34.0900  -20.1600
            22  O2x O    34.0900  -14.4900
            23  O2b O    36.5400  -14.4900
            24  C1y C    32.9000  -15.1900
            25  C1c C    32.9000  -20.8600
            26  P1b P    37.9400  -14.4900
            27  C1b C    31.7100  -14.4900
            28  C5a C    32.9000  -22.2600
            29  C1a C    31.6400  -20.1600
            30  O2c O    39.3400  -14.4900
            31  O1c O    37.9400  -13.0200
            32  O1c O    37.9400  -15.8900
            33  O1a O    31.7100  -12.8800
            34  N1b N    31.6400  -22.9600
            35  O5a O    34.0900  -22.9600
            36  C1c C    30.4500  -23.6600
            37  C5a C    29.1900  -22.8900
            38  C1a C    30.4500  -25.0600
            39  N1b N    28.0000  -23.5900
            40  O5a O    29.1900  -21.4900
            41  C1c C    26.8100  -24.2900
            42  C6a C    25.6200  -23.8700
            43  C1b C    26.8100  -25.6900
            44  O6a O    25.6200  -22.4700
            45  C1b C    47.5300  -11.3400
            46  C1b C    46.4800  -12.0400
            47  C2c C    45.2200  -11.3400
            48  C1a C    45.2200   -9.9400
            49  C1b C    44.0300  -13.4400
            50  C2b C    44.0300  -12.0400
            51  O2b O    42.2800  -14.4900
            52  C1a C    61.2500  -12.0400
            53  C2c C    59.9900  -11.3400
            54  C2b C    58.7300  -12.0400
            55  C1a C    59.9900   -9.9400
            56  C1b C    57.4700  -11.3400
            57  C1b C    56.2800  -12.0400
            58  C2c C    55.0200  -11.3400
            59  C2b C    53.7600  -12.0400
            60  C1a C    55.0200   -9.9400
            61  C1b C    52.5000  -11.3400
            62  C1b C    51.3100  -12.0400
            63  C2c C    50.0500  -11.3400
            64  C2b C    48.7900  -12.0400
            65  C1a C    50.0500   -9.9400
            66  P1b P    40.8100  -14.4900
            67  O1c O    40.8100  -13.0200
            68  O1c O    40.8100  -15.9600
            69  O6a O    24.4300  -24.5700
            70  C1b C    25.6200  -26.3900
            71  C5a C    25.6200  -27.7900
            72  N1b N    24.4300  -28.4900
            73  O5a O    26.8100  -28.4900
            74  C1c C    23.3100  -29.8200
            75  C5a C    22.0500  -29.3300
            76  C1b C    23.3100  -31.2200
            77  N1b N    20.7900  -30.1000
            78  O5a O    22.0500  -27.9300
            79  C1b C    24.5000  -31.9200
            80  C1c C    19.6000  -30.8000
            81  C1b C    24.5000  -33.3900
            82  C5a C    18.4100  -30.0300
            83  C1a C    19.6000  -32.2000
            84  C1c C    25.7600  -34.0900
            85  N1b N    17.1500  -30.7300
            86  O5a O    18.4100  -28.6300
            87  C6a C    25.7600  -35.4900
            88  N1a N    26.9500  -33.3900
            89  C1c C    15.9600  -31.5000
            90  O6a O    26.9500  -36.1900
            91  O6a O    24.5000  -36.1900
            92  C6a C    14.7700  -30.5900
            93  C1a C    15.9600  -32.9000
            94  O6a O    13.5800  -31.2900
            95  O6a O    14.7700  -29.1900
            96  C5a C    38.0469  -18.4427
            97  C1a C    39.2801  -17.5410
            98  O5a O    38.0810  -19.8031
            99  C1b C    46.4800  -12.0400
            100 C2c C    45.2200  -11.3400
            101 C1a C    45.2200   -9.9400
            102 C1b C    44.0300  -13.4400
            103 C2b C    44.0300  -12.0400
            104 C1b C    46.4800  -12.0400
            105 C2c C    45.2200  -11.3400
            106 C1a C    45.2200   -9.9400
            107 C1b C    44.0300  -13.4400
            108 C2b C    44.0300  -12.0400
            109 C1b C    46.4800  -12.0400
            110 C2c C    45.2200  -11.3400
            111 C1a C    45.2200   -9.9400
            112 C1b C    44.0300  -13.4400
            113 C2b C    44.0300  -12.0400
            114 C1b C    46.4800  -12.0400
            115 C2c C    45.2200  -11.3400
            116 C1a C    45.2200   -9.9400
            117 C1b C    44.0300  -13.4400
            118 C2b C    44.0300  -12.0400
            119 C1b C    46.4800  -12.0400
            120 C2c C    45.2200  -11.3400
            121 C1a C    45.2200   -9.9400
            122 C1b C    44.0300  -13.4400
            123 C2b C    44.0300  -12.0400
            124 C1b C    46.4800  -12.0400
            125 C2c C    45.2200  -11.3400
            126 C1a C    45.2200   -9.9400
            127 C1b C    44.0300  -13.4400
            128 C2b C    44.0300  -12.0400
            129 C1b C    46.4800  -12.0400
            130 C2c C    45.2200  -11.3400
            131 C1a C    45.2200   -9.9400
            132 C1b C    44.0300  -13.4400
            133 C2b C    44.0300  -12.0400
BOND        134
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1
            10    7  11 1 #Up
            11    8  12 1 #Down
            12   10  13 1
            13   10  14 2
            14   11  15 1
            15    7   8 1
            16   16  17 1
            17   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   17  21 1 #Up
            21   18  22 1
            22   18  23 1 #Down
            23   20  24 1
            24   20   1 1 #Down
            25   21  25 1
            26   23  26 1
            27   24  27 1 #Up
            28   25  28 1
            29   25  29 1 #Up
            30   26  30 1
            31   26  31 1
            32   26  32 2
            33   27  33 1
            34   28  34 1
            35   28  35 2
            36   36  34 1 #Up
            37   36  37 1
            38   36  38 1
            39   37  39 1
            40   37  40 2
            41   41  39 1 #Down
            42   41  42 1
            43   41  43 1
            44   42  44 2
            45   22  24 1
            46   56  57 1
            47   57  58 1
            48   58  59 2
            49   58  60 1
            50   59  61 1
            51   54  56 1
            52   52  53 1
            53   53  54 2
            54   61  62 1
            55   62  63 1
            56   63  64 2
            57   63  65 1
            58   64  45 1
            59   53  55 1
            60   51  66 1
            61   66  30 1
            62   66  67 1
            63   66  68 2
            64   42  69 1
            65   43  70 1
            66   70  71 1
            67   71  72 1
            68   71  73 2
            69   74  72 1 #Up
            70   74  75 1
            71   74  76 1
            72   75  77 1
            73   75  78 2
            74   76  79 1
            75   80  77 1 #Down
            76   79  81 1
            77   80  82 1
            78   80  83 1
            79   81  84 1
            80   82  85 1
            81   82  86 2
            82   84  87 1
            83   84  88 1 #Up
            84   89  85 1 #Down
            85   87  90 1
            86   87  91 2
            87   89  92 1
            88   89  93 1
            89   92  94 1
            90   92  95 2
            91   19  96 1
            92   96  97 1
            93   96  98 2
            94   45  46 1
            95   47  48 1
            96   47  46 1
            97   49  50 1
            98   50  47 2
            99   49  99 1
            100 100 101 1
            101 100  99 1
            102 102 103 1
            103 103 100 2
            104 102 104 1
            105 105 106 1
            106 105 104 1
            107 107 108 1
            108 108 105 2
            109 107 109 1
            110 110 111 1
            111 110 109 1
            112 112 113 1
            113 113 110 2
            114 112 114 1
            115 115 116 1
            116 115 114 1
            117 117 118 1
            118 118 115 2
            119 117 119 1
            120 120 121 1
            121 120 119 1
            122 122 123 1
            123 123 120 2
            124 122 124 1
            125 125 126 1
            126 125 124 1
            127 127 128 1
            128 128 125 2
            129 127 129 1
            130 130 131 1
            131 130 129 1
            132 132 133 1
            133 133 130 2
            134 132  51 1
BRACKET     1    43.6800  -14.4900   43.6800   -9.3100
            1    46.6900   -9.3100   46.6900  -14.4900
            1  8
 ORIGINAL  1   46  47  48  49  50
 REPEAT    1   99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114
            1  115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130
            1  131 132 133

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