KEGG   COMPOUND: C11615
Entry
C11615                      Compound                               
Name
Pristinamycin IA;
Vernamycin B alpha;
Mikamycin B;
4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1;
Streptogramin B
Formula
C45H54N8O10
Exact mass
866.3963
Mol weight
866.9579
Structure
Sequence
0 HPA  1 Thr  2 Abu  3 Pro  4 Ala  5 Pip  6 Gly
(Cyclization: 1-6)
  Gene
0 snbA [UP:P95819]; 1-2 snbC [UP:Q54959]; 3-6 snbDE [UP:O07944]
  Organism
Streptomyces pristinaespiralis
  Type
NRP
Comment
4 Ala is modified by 4-dimethylparaaminophenyl. (i.e. 4-Dimethylparaaminophenylalanine, DMPAPA)
6 Gly is modified by phenyl. (i.e. Phenylglycine, Pg)
Pathway
map01054  Nonribosomal peptide structures
Other DBs
CAS: 3131-03-1
PubChem: 13780
ChEBI: 8417
KNApSAcK: C00018680
3DMET: B05539
NIKKAJI: J20.721G
LinkDB
KCF data

ATOM        63
            1   C1x C    13.7900  -18.2000
            2   C5x C    13.7900  -19.6000
            3   C1x C    15.0024  -20.3000
            4   C1y C    16.2149  -19.6000
            5   N1y N    16.2149  -18.2000
            6   C1x C    15.0024  -17.5000
            7   C5x C    17.4273  -20.3000
            8   N1x N    18.6397  -19.6000
            9   C1y C    18.6397  -18.2000
            10  C5x C    17.4273  -17.5000
            11  C1y C    19.8522  -20.3000
            12  C7x C    21.0646  -19.6000
            13  C5x C    21.0646  -18.2000
            14  N1y N    19.8522  -17.5000
            15  O7x O    22.2770  -20.3000
            16  C1y C    23.4895  -19.6000
            17  N1y N    23.4895  -18.2000
            18  C1y C    22.2770  -17.5000
            19  O5x O    12.5776  -20.3000
            20  O5x O    17.4273  -16.1000
            21  O5x O    17.4273  -21.7000
            22  C1b C    18.6397  -15.4700
            23  C8y C    17.4126  -14.7614
            24  C8x C    17.4127  -13.3701
            25  C8x C    16.2004  -12.6700
            26  C8y C    14.9879  -13.3698
            27  C8x C    14.9877  -14.7611
            28  C8x C    16.2000  -15.4613
            29  C8y C    19.8522  -21.6997
            30  C8x C    18.6607  -22.3879
            31  C8x C    18.6609  -23.7879
            32  C8x C    19.8735  -24.4877
            33  C8x C    21.0650  -23.7995
            34  C8x C    21.0647  -22.3995
            35  C1a C    19.8522  -16.1003
            36  O5x O    21.0646  -16.8000
            37  O6a O    21.0646  -21.0000
            38  N1c N    13.7697  -12.6662
            39  C5x C    24.4794  -17.2101
            40  C1y C    25.8794  -17.2101
            41  N1x N    26.7994  -18.6200
            42  C1y C    24.7019  -20.3000
            43  C5x C    26.0542  -20.0077
            44  O5x O    26.8971  -21.1269
            45  O5x O    24.4794  -15.8101
            46  C1x C    22.2770  -16.3100
            47  C1x C    23.9918  -16.8477
            48  C1x C    23.4895  -15.7054
            49  C1b C    26.8991  -16.2392
            50  C1a C    28.2479  -16.6141
            51  N1b N    24.7135  -21.7000
            52  C5a C    25.9276  -22.3970
            53  C8y C    25.9311  -23.7970
            54  C1a C    23.4895  -21.0000
            55  O5a O    27.1162  -21.9866
            56  C8y C    24.6960  -24.5144
            57  C8x C    24.6997  -25.9144
            58  C8x C    25.9140  -26.6112
            59  C8x C    27.1491  -25.8938
            60  N5x N    27.1454  -24.4938
            61  O1a O    23.4862  -23.8201
            62  C1a C    12.5709  -13.3583
            63  C1a C    13.7699  -11.2701
BOND        68
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     9  10 1
            10    5  10 1
            11    8  11 1
            12   11  12 1
            13   13  14 1
            14    9  14 1
            15   12  15 1
            16   15  16 1
            17   17  18 1
            18   13  18 1
            19    2  19 2
            20   10  20 2
            21    7  21 2
            22    9  22 1
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   23  28 1
            30   11  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   32  33 1
            35   33  34 2
            36   29  34 1
            37   14  35 1
            38   13  36 2
            39   12  37 2
            40   26  38 1
            41   17  39 1
            42   39  40 1
            43   40  41 1
            44   16  42 1
            45   42  43 1
            46   41  43 1
            47   43  44 2
            48   39  45 2
            49   18  46 1
            50   17  47 1
            51   47  48 1
            52   48  46 1
            53   40  49 1
            54   49  50 1
            55   42  51 1
            56   51  52 1
            57   52  53 1
            58   16  54 1
            59   52  55 2
            60   53  56 2
            61   56  57 1
            62   57  58 2
            63   58  59 1
            64   59  60 2
            65   53  60 1
            66   56  61 1
            67   38  62 1
            68   38  63 1

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