KEGG   COMPOUND: C20869Help
Entry
C20869                      Compound                               

Name
UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Lac);
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-lactate;
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-lactate
Formula
C40H64N8O27P2
Exact mass
1150.3356
Mol weight
1150.9211
Structure
Mol fileKCF fileDB search
Pathway
map01502  Vancomycin resistance
Other DBs
PubChem: 254741335
LinkDB All DBs
KCF data Show

ATOM        77
            1   C1y C    19.9193  -11.8609
            2   C1y C    19.9193  -13.2589
            3   O2x O    18.7311  -11.1619
            4   O2b O    21.1076  -11.1619
            5   C1y C    18.7311  -13.9579
            6   N1b N    21.1076  -13.9579
            7   C1y C    17.5428  -11.8609
            8   P1b P    22.5056  -11.1619
            9   C1y C    17.5428  -13.2589
            10  O2a O    18.7311  -15.3558
            11  C5a C    21.1076  -15.3558
            12  C1b C    16.2846  -11.1619
            13  O2c O    23.9035  -11.1619
            14  O1c O    22.5056   -9.7640
            15  O1c O    22.5056  -12.5599
            16  O1a O    16.2846  -13.9579
            17  C1c C    17.4729  -16.0548
            18  C1a C    19.9892  -16.1946
            19  O5a O    22.3658  -16.0548
            20  O1a O    16.2846   -9.7640
            21  P1b P    25.3015  -11.1619
            22  C5a C    17.4729  -17.4528
            23  C1a C    16.2846  -15.0058
            24  O2b O    26.6995  -11.1619
            25  O1c O    25.3015   -9.7640
            26  O1c O    25.3015  -12.5599
            27  N1b N    16.2846  -18.1518
            28  O5a O    18.7311  -18.1518
            29  C1b C    27.0490  -12.4900
            30  C1c C    15.0964  -17.3829
            31  C1y C    28.3071  -13.1890
            32  C5a C    13.9081  -18.0819
            33  C1a C    15.0964  -16.0548
            34  O2x O    29.4255  -12.3502
            35  C1y C    28.7265  -14.5171
            36  N1b N    12.6499  -17.3829
            37  O5a O    13.8382  -19.4798
            38  C1y C    30.5439  -13.1890
            39  C1y C    30.1245  -14.5171
            40  O1a O    28.0275  -15.7053
            41  C1c C    11.4617  -18.0819
            42  N4y N    31.8719  -12.2803
            43  O1a O    30.7536  -15.7053
            44  C1b C    10.2734  -17.3829
            45  C6a C    11.4617  -19.4798
            46  C8y C    33.1301  -11.5114
            47  C8x C    30.6837  -11.5114
            48  C1b C     9.0152  -18.0819
            49  O6a O    10.2035  -20.1788
            50  O6a O    12.6499  -20.1788
            51  N4x N    33.1301  -10.1834
            52  O5x O    34.3184  -12.2104
            53  C8x C    30.6837  -10.1834
            54  C5a C     7.8270  -17.3829
            55  C8y C    31.8719   -9.4145
            56  N1b N     6.6387  -18.1519
            57  O5a O     7.8270  -15.9849
            58  O5x O    31.8719   -8.0165
            59  C1c C     5.3805  -18.7808
            60  C1b C     4.1922  -18.0819
            61  C5a C     5.3805  -20.1788
            62  C1b C     4.5417  -16.7538
            63  N1b N     6.5688  -20.8778
            64  O5a O     4.1922  -20.8778
            65  C1b C     3.5632  -15.7752
            66  C1b C     3.9127  -14.3773
            67  N1a N     2.9341  -13.3987
            68  C1a C     5.3805  -22.9747
            69  C1c C     6.5688  -22.2758
            70  C7a C     7.8270  -22.9747
            71  O7a O     9.0152  -22.2758
            72  C1c C    10.2035  -22.9747
            73  C6a C    11.4617  -22.2758
            74  O6a O    12.6499  -22.9747
            75  O6a O     7.8270  -24.3727
            76  C1a C    10.2035  -24.3727
            77  O6a O    11.4617  -20.8778
BOND        79
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    7  12 1 #Up
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15    9  16 1 #Down
            16   10  17 1
            17   11  18 1
            18   11  19 2
            19   12  20 1
            20   13  21 1
            21   17  22 1
            22   17  23 1 #Up
            23   21  24 1
            24   21  25 1
            25   21  26 2
            26   22  27 1
            27   22  28 2
            28   24  29 1
            29   30  27 1 #Down
            30   31  29 1 #Up
            31   30  32 1
            32   30  33 1
            33   31  34 1
            34   31  35 1
            35   32  36 1
            36   32  37 2
            37   34  38 1
            38   35  39 1
            39   35  40 1 #Down
            40   41  36 1 #Up
            41   38  42 1 #Up
            42   39  43 1 #Down
            43   41  44 1
            44   41  45 1
            45   42  46 1
            46   42  47 1
            47   44  48 1
            48   45  49 1
            49   45  50 2
            50   46  51 1
            51   46  52 2
            52   47  53 2
            53   48  54 1
            54   51  55 1
            55   54  56 1
            56   54  57 2
            57   55  58 2
            58   59  56 1 #Down
            59   59  60 1
            60   59  61 1
            61   60  62 1
            62   61  63 1
            63   61  64 2
            64   62  65 1
            65   65  66 1
            66   66  67 1
            67    7   9 1
            68   38  39 1
            69   53  55 1
            70   68  69 1
            71   69  70 1
            72   70  71 1
            73   72  71 1 #Up
            74   72  73 1
            75   73  74 1
            76   69  63 1 #Up
            77   70  75 2
            78   72  76 1
            79   73  77 2

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