KEGG   COMPOUND: C20880Help
Entry
C20880                      Compound                               

Name
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate;
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate
Formula
C41H64N8O29P2
Exact mass
1194.3254
Mol weight
1194.9306
Structure
Mol fileKCF fileDB search
Pathway
map01502  Vancomycin resistance
Other DBs
PubChem: 254741346
LinkDB All DBs
KCF data Show

ATOM        80
            1   C1y C    34.0388  -20.4188
            2   C1y C    34.0388  -21.8366
            3   O2x O    32.8336  -19.7808
            4   O2b O    35.2439  -19.7808
            5   C1y C    32.8336  -22.5455
            6   C1y C    31.6994  -20.4188
            7   P1b P    36.5908  -19.7808
            8   C1y C    31.6994  -21.8366
            9   O2a O    32.8336  -23.8924
            10  C1b C    30.4943  -19.7808
            11  O2c O    38.0085  -19.7808
            12  O1c O    36.5908  -18.3630
            13  O1c O    36.5908  -21.1276
            14  O1a O    30.4943  -22.5455
            15  O1a O    29.2183  -20.4188
            16  P1b P    39.3555  -19.7808
            17  O2b O    40.7732  -19.7808
            18  O1c O    39.3555  -18.3630
            19  O1c O    39.3555  -21.1276
            20  C1b C    42.1202  -19.2846
            21  C1y C    43.3962  -19.7099
            22  O2x O    44.5304  -18.8592
            23  C1y C    43.8925  -20.9859
            24  C1y C    45.6647  -19.7099
            25  C1y C    45.2394  -20.9859
            26  O1a O    43.0417  -22.1202
            27  N4y N    47.3660  -19.0718
            28  O1a O    46.0192  -22.1202
            29  C8y C    48.5711  -18.3630
            30  C8x C    46.1610  -18.3630
            31  N4x N    48.5711  -17.0161
            32  O5x O    49.7763  -19.0718
            33  C8x C    46.1610  -17.0161
            34  C8y C    47.3660  -16.3071
            35  O5x O    47.3660  -14.9602
            36  N1b N    35.2439  -22.5455
            37  C5a C    35.2439  -23.9632
            38  C1a C    36.4490  -24.6721
            39  O5a O    34.0388  -24.6721
            40  C1c C    31.6058  -24.6013
            41  C1a C    30.3951  -23.9021
            42  C5a C    31.6057  -26.3024
            43  N1b N    30.3949  -27.0016
            44  O5a O    32.8506  -27.0213
            45  C1c C    29.1927  -26.3075
            46  C5a C    27.9862  -27.0042
            47  N1b N    26.7818  -26.3088
            48  C1c C    25.5764  -27.0048
            49  C1b C    24.3713  -26.3091
            50  C1b C    23.1662  -27.0050
            51  C5a C    21.9610  -26.3092
            52  C6a C    25.5763  -28.4291
            53  O6a O    24.3684  -29.1265
            54  O6a O    26.8240  -29.1496
            55  O5a O    27.9861  -28.2872
            56  C1a C    29.1926  -24.9559
            57  O5a O    21.9608  -24.8851
            58  N1b N    20.7561  -27.0051
            59  C1c C    19.5506  -26.3094
            60  C5a C    18.3458  -27.0053
            61  N1b N    17.1403  -26.3094
            62  O5a O    18.3459  -28.4291
            63  C1c C    15.9354  -27.0053
            64  C7a C    14.7300  -26.3094
            65  O7a O    13.5252  -27.0053
            66  C1c C    12.3198  -26.3094
            67  C6a C    11.1149  -27.0053
            68  C1a C    12.3195  -24.8852
            69  O6a O     9.9095  -26.3094
            70  O6a O    11.1150  -28.4291
            71  C1a C    15.9355  -28.4291
            72  O6a O    14.7297  -24.8852
            73  C1b C    19.5503  -24.8852
            74  C1b C    18.3426  -24.1879
            75  C1b C    18.3422  -22.7584
            76  C1c C    17.1366  -22.0626
            77  C6a C    15.9374  -22.7552
            78  O6a O    14.7291  -22.0577
            79  O6a O    15.9375  -24.1555
            80  N1a N    17.1364  -20.6549
BOND        82
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    7  11 1
            11    7  12 2
            12    7  13 1
            13    8  14 1 #Down
            14   10  15 1
            15   11  16 1
            16   16  17 1
            17   16  18 2
            18   16  19 1
            19   17  20 1
            20   21  20 1 #Up
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   23  26 1 #Down
            26   24  27 1 #Up
            27   25  28 1 #Down
            28   27  29 1
            29   27  30 1
            30   29  31 1
            31   29  32 2
            32   30  33 2
            33   31  34 1
            34   34  35 2
            35    6   8 1
            36   24  25 1
            37   33  34 1
            38    2  36 1 #Down
            39   36  37 1
            40   37  38 1
            41   37  39 2
            42    9  40 1
            43   40  41 1 #Up
            44   40  42 1
            45   42  43 1
            46   42  44 2
            47   43  45 1
            48   45  46 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   49  50 1
            53   50  51 1
            54   48  52 1 #Up
            55   52  53 2
            56   52  54 1
            57   46  55 2
            58   45  56 1 #Down
            59   51  57 2
            60   51  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1
            64   60  62 2
            65   61  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   66  68 1 #Up
            71   67  69 1
            72   67  70 2
            73   63  71 1 #Down
            74   64  72 2
            75   59  73 1 #Down
            76   73  74 1
            77   74  75 1
            78   75  76 1
            79   76  77 1
            80   77  78 1
            81   77  79 2
            82   76  80 1 #Up

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