KEGG   COMPOUND: C11617Help
Entry
C11617                      Compound                               

Name
Pristinamycin IC;
Vernamycin B gamma;
2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1
Formula
C44H52N8O10
Exact mass
852.3806
Mol weight
852.9313
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
28979-74-0
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        62
            1   N1y N    23.7905  -19.9436
            2   C1y C    23.8116  -21.3259
            3   C5x C    24.9930  -19.2345
            4   C1x C    22.6129  -19.2629
            5   C5x C    25.0067  -21.9992
            6   C1x C    22.6266  -22.0159
            7   C1y C    24.9833  -17.8638
            8   O5x O    26.3256  -19.5865
            9   C1x C    21.4219  -19.9602
            10  N1x N    26.1976  -21.3091
            11  O5x O    25.0048  -23.3816
            12  C5x C    21.4201  -21.3426
            13  C1b C    23.7885  -17.1961
            14  N1y N    25.6509  -16.6690
            15  C1y C    27.3925  -21.9767
            16  O5x O    20.2290  -22.0271
            17  C8y C    23.7789  -15.8198
            18  C5x C    27.0274  -16.6594
            19  C1a C    25.6355  -15.2926
            20  C8y C    27.3378  -23.3590
            21  C7x C    28.5706  -21.2736
            22  C8x C    24.9639  -15.1110
            23  C8x C    22.5723  -15.1451
            24  C1y C    27.7021  -15.4645
            25  O5x O    27.7188  -17.8446
            26  C8x C    26.1528  -24.0551
            27  C8x C    28.5317  -24.0323
            28  O7x O    29.7654  -21.9540
            29  O6a O    28.5552  -19.9040
            30  C8x C    25.0126  -13.7344
            31  C8x C    22.5568  -13.7628
            32  N1y N    29.0786  -15.4547
            33  C1x C    27.2664  -14.1610
            34  C8x C    26.1624  -25.4314
            35  C8x C    28.5471  -25.4090
            36  C1y C    30.9564  -21.2510
            37  C8y C    23.7420  -13.0611
            38  C5x C    29.7686  -16.6342
            39  C1x C    29.4949  -14.1453
            40  C1x C    28.3691  -13.3489
            41  C8x C    27.3632  -26.1178
            42  C1y C    32.1512  -21.9316
            43  C1a C    30.9545  -20.0671
            44  C1y C    31.1394  -16.6946
            45  O5x O    29.0837  -17.8292
            46  C5x C    31.4965  -19.1479
            47  N1b N    32.1551  -23.3138
            48  N1x N    31.8425  -17.8098
            49  O5x O    30.1582  -19.1461
            50  C5a C    33.3500  -23.9873
            51  C8y C    33.2896  -25.3579
            52  O5a O    34.5469  -23.2912
            53  C8y C    34.4961  -26.0385
            54  N5x N    32.1046  -26.0669
            55  C8x C    34.5176  -27.4149
            56  O1a O    35.6813  -25.3295
            57  C8x C    32.1199  -27.4434
            58  C8x C    33.3265  -28.1167
            59  N1c N    23.7256  -11.6670
            60  C1a C    24.9249  -10.9557
            61  C1a C    22.5102  -10.9841
            62  C1a C    31.8252  -15.4106
BOND        67
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     3   8 2
            5     4   9 1
            6     5  10 1
            7     5  11 2
            8     6  12 1
            9     7  13 1
            10    7  14 1
            11   10  15 1
            12   12  16 2
            13   13  17 1
            14   14  18 1
            15   14  19 1
            16   15  20 1
            17   15  21 1
            18   17  22 2
            19   17  23 1
            20   18  24 1
            21   18  25 2
            22   20  26 2
            23   20  27 1
            24   21  28 1
            25   21  29 2
            26   22  30 1
            27   23  31 2
            28   24  32 1
            29   24  33 1
            30   26  34 1
            31   27  35 2
            32   28  36 1
            33   30  37 2
            34   32  38 1
            35   32  39 1
            36   33  40 1
            37   34  41 2
            38   36  42 1
            39   36  43 1
            40   38  44 1
            41   38  45 2
            42   42  46 1
            43   42  47 1
            44   44  48 1
            45   46  49 2
            46   47  50 1
            47   50  51 1
            48   50  52 2
            49   51  53 1
            50   51  54 2
            51   53  55 2
            52   53  56 1
            53   54  57 1
            54   55  58 1
            55    9  12 1
            56   31  37 1
            57   35  41 1
            58   39  40 1
            59   46  48 1
            60   57  58 2
            61   37  59 1
            62    1   2 1
            63   59  60 1
            64    1   3 1
            65   59  61 1
            66    1   4 1
            67   44  62 1

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