KEGG   COMPOUND: C15711
Entry
C15711                      Compound                               
Name
Balhimycin
Formula
C66H73Cl2N9O24
Exact mass
1445.4146
Mol weight
1447.23
Structure
Sequence
0 D-Leu  1 D-Tyr  2 Asn  3 D-Hpg  4 D-Hpg  5 Tyr  6 Dpg
  Gene
0-2 bpsA [UP:Q939Z1]; 3-5 bpsB [UP:Q939Z0]; 6 bpsC [UP:Q939Y9]
  Organism
Amycolatopsis balhimycina
  Type
NRP
Comment
0 Leu is modified by N-methyl. (i.e. N-Methyl-(R)-leucine, MeLeu)
1 and 5 Tyr are modified by (R)-chloro-beta-hydroxy. (i.e. (R)-Chloro-beta-hydroxytyrosine)
Other DBs
CAS: 140932-79-2
PubChem: 47205037
KNApSAcK: C00016943
NIKKAJI: J576.498J
LinkDB
KCF data

ATOM        101
            1   C8x C    30.2820  -21.0719
            2   C8y C    30.2820  -22.4680
            3   C8x C    31.3988  -23.0962
            4   C8x C    32.6552  -22.4680
            5   C8y C    32.6552  -21.0719
            6   C8y C    31.3988  -20.3739
            7   C8x C    34.9587  -22.4680
            8   C8y C    34.9587  -21.0719
            9   O2x O    33.8418  -20.3739
            10  C8y C    36.2151  -23.0962
            11  C8x C    37.4017  -22.4680
            12  C8y C    37.4017  -21.0719
            13  C8y C    36.2151  -20.3739
            14  C8x C    39.7750  -22.4680
            15  C8y C    39.7750  -21.0719
            16  O2x O    38.5883  -20.3739
            17  C8x C    40.9616  -23.0962
            18  C8y C    42.1482  -22.4680
            19  C8x C    42.1482  -21.0719
            20  C8y C    40.9616  -20.3739
            21  C5x C    38.5883  -24.7016
            22  C1y C    39.7750  -25.3996
            23  N1x N    40.9616  -24.7016
            24  C1y C    36.2151  -24.7016
            25  N1x N    37.4017  -25.3996
            26  N1x N    33.8418  -24.7016
            27  C5x C    34.9587  -25.3996
            28  C5x C    31.3988  -24.7016
            29  C1y C    32.6552  -25.3996
            30  C1y C    29.0953  -23.0962
            31  C1y C    29.0953  -24.7016
            32  N1x N    30.2820  -25.3996
            33  C5x C    42.1482  -25.3996
            34  C1y C    43.3349  -24.7016
            35  C1y C    43.3349  -23.0962
            36  O1a O    44.5215  -22.4680
            37  X   Cl   40.9616  -18.9779
            38  O2a O    36.2151  -18.0705
            39  X   Cl   31.3988  -18.9779
            40  O2a O    27.9087  -22.4680
            41  C1y C    27.9087  -21.0719
            42  O2x O    29.0953  -20.3739
            43  C1y C    29.0953  -18.9779
            44  C5x C    27.9087  -18.3497
            45  C1z C    26.6523  -18.9779
            46  C1x C    26.6523  -20.3739
            47  C1a C    30.2820  -18.3497
            48  O5x O    27.9087  -16.9536
            49  C1a C    26.3033  -17.7215
            50  N1a N    25.3959  -19.3269
            51  N1b N    44.5215  -25.3996
            52  C5a C    45.7779  -24.7016
            53  C1c C    46.9645  -25.3996
            54  N1b N    48.0814  -24.7016
            55  C1a C    49.3378  -25.3996
            56  O5a O    45.7779  -23.3056
            57  O5x O    42.1482  -26.7957
            58  O5x O    38.5883  -23.3056
            59  O5x O    34.9587  -26.7957
            60  C8y C    32.6552  -26.7957
            61  C8x C    31.4686  -27.4239
            62  C8y C    31.4686  -28.8199
            63  C8y C    32.6552  -29.5179
            64  C8x C    33.8418  -28.8199
            65  C8x C    33.8418  -27.4239
            66  C8y C    30.3518  -29.5179
            67  O1a O    32.6552  -30.9139
            68  C8y C    29.1651  -28.8199
            69  C8x C    27.9087  -29.5179
            70  C8y C    27.9087  -30.9139
            71  C8x C    29.0953  -31.5422
            72  C8y C    30.3518  -30.9139
            73  C1y C    29.1651  -27.4239
            74  N1x N    27.9785  -26.7957
            75  C5x C    27.9785  -25.3996
            76  C6a C    26.8617  -28.6105
            77  O6a O    25.5355  -28.6105
            78  O6a O    26.8617  -30.0065
            79  O5x O    26.7221  -24.7714
            80  C1y C    37.4017  -17.3724
            81  O2x O    38.5883  -18.0705
            82  C1y C    39.7750  -17.3724
            83  C1y C    39.7750  -15.9764
            84  C1y C    38.6581  -15.2784
            85  C1y C    37.4017  -15.9764
            86  C1b C    40.9616  -18.0705
            87  O1a O    42.1482  -17.3724
            88  O1a O    40.9616  -15.2784
            89  O1a O    38.6581  -13.9522
            90  O1a O    36.2151  -15.2784
            91  O1a O    31.4686  -31.5422
            92  O1a O    26.7221  -31.5422
            93  C1b C    46.9645  -26.7957
            94  C1c C    45.7779  -27.4239
            95  C1a C    44.3819  -27.4239
            96  C1a C    45.7779  -28.8199
            97  C1b C    38.6581  -26.0976
            98  C5a C    38.6581  -27.4239
            99  O5a O    37.4715  -28.1219
            100 N1a N    39.8448  -28.1219
            101 O5x O    30.4216  -23.7244
BOND        110
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   14  15 2
            16   15  16 1
            17   12  16 1
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   21  22 1
            24   22  23 1 #Up
            25   10  24 1
            26   24  25 1 #Up
            27   21  25 1
            28   26  27 1
            29   24  27 1
            30   28  29 1
            31   29  26 1 #Down
            32    2  30 1
            33   30  31 1
            34   31  32 1 #Down
            35   28  32 1
            36   23  33 1
            37   33  34 1
            38   34  35 1
            39   35  18 1
            40   35  36 1 #Up
            41   20  37 1
            42   13  38 1
            43    6  39 1
            44   30  40 1 #Down
            45   41  40 1 #Up
            46   41  42 1
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 1
            51   41  46 1
            52   43  47 1 #Down
            53   44  48 2
            54   45  49 1 #Up
            55   45  50 1 #Down
            56   34  51 1 #Up
            57   51  52 1
            58   52  53 1
            59   53  54 1 #Down
            60   54  55 1
            61   52  56 2
            62   33  57 2
            63   21  58 2
            64   27  59 2
            65   29  60 1
            66   60  61 1
            67   61  62 2
            68   62  63 1
            69   63  64 2
            70   64  65 1
            71   60  65 2
            72   62  66 1
            73   63  67 1
            74   66  68 2
            75   68  69 1
            76   69  70 2
            77   70  71 1
            78   71  72 2
            79   66  72 1
            80   68  73 1
            81   73  74 1
            82   74  75 1
            83   75  31 1
            84   73  76 1 #Down
            85   76  77 1
            86   76  78 2
            87   75  79 2
            88   80  38 1 #Up
            89   80  81 1
            90   81  82 1
            91   82  83 1
            92   83  84 1
            93   84  85 1
            94   80  85 1
            95   82  86 1 #Up
            96   86  87 1
            97   83  88 1 #Down
            98   84  89 1 #Up
            99   85  90 1 #Down
            100  72  91 1
            101  70  92 1
            102  53  93 1
            103  93  94 1
            104  94  95 1
            105  94  96 1
            106  97  98 1
            107  22  97 1
            108  98  99 2
            109  98 100 1
            110  28 101 2

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