KEGG   COMPOUND: C20873Help
Entry
C20873                      Compound                               

Name
UDPMurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ser);
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-serine;
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-serine
Formula
C40H65N9O27P2
Exact mass
1165.3465
Mol weight
1165.9357
Structure
Mol fileKCF fileDB search
Pathway
map01502  Vancomycin resistance
Other DBs
PubChem: 254741339
LinkDB All DBs
KCF data Show

ATOM        78
            1   C1y C    19.9500  -13.5800
            2   C1y C    19.9500  -14.9800
            3   O2x O    18.7600  -12.8800
            4   O2b O    21.1400  -12.8800
            5   C1y C    18.7600  -15.6800
            6   N1b N    21.1400  -15.6800
            7   C1y C    17.5700  -13.5800
            8   P1b P    22.5400  -12.8800
            9   C1y C    17.5700  -14.9800
            10  O2a O    18.7600  -17.0800
            11  C5a C    21.1400  -17.0800
            12  C1b C    16.3100  -12.8800
            13  O2c O    23.9400  -12.8800
            14  O1c O    22.5400  -11.4800
            15  O1c O    22.5400  -14.2800
            16  O1a O    16.3100  -15.6800
            17  C1c C    17.5000  -17.7800
            18  C1a C    19.9500  -17.7800
            19  O5a O    22.4000  -17.7800
            20  O1a O    16.3100  -11.4800
            21  P1b P    25.3400  -12.8800
            22  C5a C    17.5000  -19.1800
            23  C1a C    16.3100  -16.7300
            24  O2b O    26.7400  -12.8800
            25  O1c O    25.3400  -11.4800
            26  O1c O    25.3400  -14.2800
            27  N1b N    16.3100  -19.8800
            28  O5a O    18.7600  -19.8800
            29  C1b C    27.0900  -14.2100
            30  C1c C    15.1200  -19.1100
            31  C1y C    28.3500  -14.9100
            32  C5a C    13.9300  -19.8100
            33  C1a C    15.1200  -17.7800
            34  O2x O    29.4700  -14.0700
            35  C1y C    28.7700  -16.2400
            36  N1b N    12.6700  -19.1100
            37  O5a O    13.8600  -21.2100
            38  C1y C    30.5900  -14.9100
            39  C1y C    30.1700  -16.2400
            40  O1a O    28.0700  -17.4300
            41  C1c C    11.4800  -19.8100
            42  N4y N    31.9200  -14.0000
            43  O1a O    30.8000  -17.4300
            44  C1b C    10.2900  -19.1100
            45  C6a C    11.4800  -21.2100
            46  C8y C    33.1800  -13.2300
            47  C8x C    30.7300  -13.2300
            48  C1b C     9.0300  -19.8100
            49  O6a O    10.2200  -21.9100
            50  O6a O    12.6700  -21.9100
            51  N4x N    33.1800  -11.9000
            52  O5x O    34.3700  -13.9300
            53  C8x C    30.7300  -11.9000
            54  C5a C     7.8400  -19.1100
            55  C8y C    31.9200  -11.1300
            56  N1b N     6.6500  -19.8100
            57  O5a O     7.8400  -17.7100
            58  O5x O    31.9200   -9.7300
            59  C1c C     5.3900  -20.5100
            60  C1b C     4.2000  -19.8100
            61  C5a C     5.3900  -21.9100
            62  C1b C     4.5500  -18.4800
            63  N1b N     6.5800  -22.6100
            64  O5a O     4.2000  -22.6100
            65  C1b C     3.5700  -17.5000
            66  C1b C     3.9200  -16.1000
            67  N1a N     2.9400  -15.1200
            68  O6a O    12.6700  -24.7100
            69  C6a C    11.4100  -24.0100
            70  C1c C    10.2200  -24.7100
            71  N1b N     9.0300  -24.0100
            72  C5a C     7.7700  -24.7100
            73  C1c C     6.5800  -24.0100
            74  C1a C     5.3900  -24.7100
            75  O5a O     7.7700  -26.1100
            76  C1b C    10.2200  -26.1100
            77  O1a O    11.4100  -26.8100
            78  O6a O    11.4100  -22.6100
BOND        80
            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 #Up
            73   71  72 1
            74   72  73 1
            75   73  74 1
            76   73  63 1 #Up
            77   72  75 2
            78   70  76 1
            79   76  77 1
            80   69  78 2

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