KEGG   COMPOUND: C20886Help
Entry
C20886                      Compound                               

Name
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminopimelate;
UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminoheptanedioate
Formula
C35H55N7O26P2
Exact mass
1051.2672
Mol weight
1051.79
Structure
Mol fileKCF fileDB search
Pathway
map01502  Vancomycin resistance
Other DBs
PubChem: 254741349
LinkDB All DBs
KCF data Show

ATOM        70
            1   C1y C    25.8488  -14.5388
            2   C1y C    25.8488  -15.9566
            3   O2x O    24.6436  -13.9008
            4   O2b O    27.0539  -13.9008
            5   C1y C    24.6436  -16.6655
            6   C1y C    23.5094  -14.5388
            7   P1b P    28.4008  -13.9008
            8   C1y C    23.5094  -15.9566
            9   O2a O    24.6436  -18.0124
            10  C1b C    22.3043  -13.9008
            11  O2c O    29.8185  -13.9008
            12  O1c O    28.4008  -12.4830
            13  O1c O    28.4008  -15.2476
            14  O1a O    22.3043  -16.6655
            15  O1a O    21.0283  -14.5388
            16  P1b P    31.1655  -13.9008
            17  O2b O    32.5832  -13.9008
            18  O1c O    31.1655  -12.4830
            19  O1c O    31.1655  -15.2476
            20  C1b C    33.9302  -13.4046
            21  C1y C    35.2062  -13.8299
            22  O2x O    36.3404  -12.9792
            23  C1y C    35.7025  -15.1059
            24  C1y C    37.4747  -13.8299
            25  C1y C    37.0494  -15.1059
            26  O1a O    34.8517  -16.2402
            27  N4y N    39.1760  -13.1918
            28  O1a O    37.8292  -16.2402
            29  C8y C    40.3811  -12.4830
            30  C8x C    37.9710  -12.4830
            31  N4x N    40.3811  -11.1361
            32  O5x O    41.5863  -13.1918
            33  C8x C    37.9710  -11.1361
            34  C8y C    39.1760  -10.4271
            35  O5x O    39.1760   -9.0802
            36  N1b N    27.0539  -16.6655
            37  C5a C    27.0539  -18.0832
            38  C1a C    28.2590  -18.7921
            39  O5a O    25.8488  -18.7921
            40  C1c C    23.4158  -18.7213
            41  C1a C    22.2051  -18.0221
            42  C5a C    23.4157  -20.4224
            43  N1b N    22.2049  -21.1216
            44  O5a O    24.6606  -21.1413
            45  C1c C    21.0027  -20.4275
            46  C5a C    19.7962  -21.1242
            47  N1b N    18.5918  -20.4288
            48  C1c C    17.3864  -21.1248
            49  C1b C    16.1813  -20.4291
            50  C1b C    14.9762  -21.1250
            51  C5a C    13.7710  -20.4292
            52  C6a C    17.3863  -22.5491
            53  O6a O    16.1784  -23.2465
            54  O6a O    18.6340  -23.2696
            55  O5a O    19.7961  -22.4072
            56  C1a C    21.0026  -19.0759
            57  O5a O    13.7708  -19.0051
            58  N1b N    12.5661  -21.1251
            59  C1c C    11.3606  -20.4294
            60  C6a C    10.1558  -21.1253
            61  O6a O    10.1559  -22.5491
            62  C1b C    11.3603  -19.0052
            63  C1b C    10.1526  -18.3079
            64  C1b C    10.1522  -16.8784
            65  C1c C     8.9466  -16.1826
            66  C6a C     7.7474  -16.8752
            67  O6a O     6.5391  -16.1777
            68  O6a O     7.7475  -18.2755
            69  N1a N     8.9464  -14.7749
            70  O6a O     8.5253  -20.2167
BOND        72
            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 2
            64   59  62 1 #Down
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   66  68 2
            71   65  69 1 #Up
            72   60  70 1

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