KEGG   COMPOUND: C06854Help
Entry
C06854                      Compound                               

Name
Bleomycin A2
Formula
C55H84N17O21S3
Exact mass
1414.519
Mol weight
1415.5518
Structure
Mol fileKCF fileDB searchJmolKegDraw
Sequence
0 Ser  1 Asn  2 Asn  3 His  4 Ala  5 Man  6 Thr  7 beta-Ala  8 Cys
9 Cys
  Gene
0-1 blmVI [UP:Q9FB23]; 1 blmV [UP:Q9FB22]; 2-3 blmX [UP:Q9FB27];
4 blmIX [UP:Q9FB26]; 5 blmVIII [UP:Q9FB25]; 6 blmVII [UP:Q9FB24];
7-8 blmIV [UP:Q9FB18]; 9 blmIII [UP:Q9FB17]
  Organism
Streptomyces verticillus
  Type
PKNRP
Comment
Comonent of Bleomycin A [CPD:C15774]
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK14 Non-ribosomal peptide/polyketide hybrids
   C06854  Bleomycin A2
BRITE hierarchy
Other DBs
CAS: 
11116-31-7
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        96
            1   C1c C    29.2970  -16.7070
            2   C5a C    30.4860  -16.0077
            3   N1b N    31.6748  -16.7070
            4   C1c C    29.2970  -18.1056
            5   O1a O    28.1082  -18.8050
            6   C1a C    30.4860  -18.8050
            7   O5a O    30.4860  -14.6090
            8   C1b C    32.8636  -16.0077
            9   C1c C    21.0451  -19.3645
            10  C5a C    22.2338  -18.6651
            11  N1b N    23.3527  -19.3645
            12  O5a O    22.2338  -17.2665
            13  C1c C    24.5416  -18.6651
            14  C1c C    24.5416  -16.7070
            15  C1c C    25.7306  -16.0077
            16  O1a O    23.3527  -16.0077
            17  C5a C    26.9194  -16.7070
            18  N1b N    28.1082  -16.0077
            19  O5a O    26.9194  -18.1056
            20  C1a C    25.7306  -14.6090
            21  C1a C    25.7306  -19.3645
            22  N5x N    16.2197  -15.1685
            23  C8y C    16.2197  -16.5672
            24  C8y C    17.4086  -17.2665
            25  C8y C    18.6674  -16.5672
            26  N5x N    18.6674  -15.1685
            27  C8y C    17.4086  -14.4692
            28  C1c C    17.4086  -13.0705
            29  N1a N    15.0309  -17.2665
            30  C5a C    19.8562  -17.2665
            31  N1b N    18.5975  -12.3711
            32  C1b C    19.7862  -13.0705
            33  C1c C    20.9751  -12.3711
            34  C5a C    22.1639  -13.0705
            35  N1a N    20.9751  -10.9725
            36  N1a N    23.3527  -12.3711
            37  O5a O    22.1639  -14.4692
            38  O5a O    21.0451  -16.5672
            39  N1b N    19.8562  -18.6651
            40  C1a C    17.4086  -18.6651
            41  C1b C    16.2197  -12.3711
            42  C5a C    15.0309  -13.0705
            43  N1a N    13.8420  -12.3711
            44  O5a O    15.0309  -14.4692
            45  C1b C    34.0524  -16.7070
            46  C8y C    34.0524  -18.1056
            47  S2x S    32.9336  -18.9449
            48  C8x C    33.3531  -20.2735
            49  C8y C    34.8217  -20.2735
            50  N5x N    35.2414  -18.9449
            51  C1c C    21.0451  -20.7631
            52  O2a O    19.8562  -21.4625
            53  C1y C    18.5975  -20.8331
            54  O2x O    17.4086  -20.1336
            55  C1y C    16.1498  -20.8331
            56  C1y C    16.1498  -22.2317
            57  C1y C    17.4086  -22.9310
            58  C1y C    18.5975  -22.2317
            59  C1b C    14.9609  -20.1336
            60  O1a O    13.7721  -20.8331
            61  O1a O    14.9609  -22.9310
            62  O1a O    17.4086  -24.2597
            63  O2a O    19.7862  -22.9310
            64  C1y C    19.7862  -24.2597
            65  O2x O    18.5975  -24.9591
            66  C1y C    18.5975  -26.3578
            67  C1y C    19.7862  -27.0570
            68  C1y C    21.0451  -26.3578
            69  C1y C    21.0451  -24.9591
            70  C1b C    17.4086  -27.0570
            71  O1a O    19.7862  -28.4556
            72  O7a O    22.4436  -27.0570
            73  O1a O    22.2338  -24.2597
            74  C8y C    22.2338  -21.4625
            75  N5x N    22.2338  -22.8610
            76  C8x C    23.4927  -23.2806
            77  N4x N    24.3319  -22.1617
            78  C8x C    23.4927  -21.0429
            79  S2x S    34.6964  -22.6160
            80  C8y C    35.5211  -21.4848
            81  C8x C    35.5183  -23.7477
            82  C8y C    36.8487  -23.3157
            83  N5x N    36.8489  -21.9172
            84  C5a C    38.0597  -24.0155
            85  N1b N    39.2711  -23.3162
            86  O5a O    38.0599  -25.4484
            87  C7a C    23.8703  -26.3676
            88  N1a N    25.0508  -27.0620
            89  O6a O    23.8822  -24.9597
            90  O1a O    16.1917  -26.3676
            91  C1b C    40.4916  -24.0213
            92  C1b C    41.6913  -23.3288
            93  C1b C    42.8767  -24.0134
            94  S0  S    44.0696  -23.3248 #+
            95  C1a C    45.2884  -24.0288
            96  C1a C    44.0694  -21.9050
BOND        101
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1 #Up
            5     4   6 1
            6     2   7 2
            7     3   8 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11   11  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1 #Up
            15   15  17 1
            16   17  18 1
            17   17  19 2
            18   15  20 1 #Down
            19   13  21 1 #Up
            20   22  23 2
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  27 2
            25   22  27 1
            26   27  28 1
            27   23  29 1
            28   25  30 1
            29   28  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   33  35 1 #Down
            34   34  36 1
            35   34  37 2
            36   30  38 2
            37   30  39 1
            38   24  40 1
            39   41  42 1
            40   28  41 1 #Down
            41   42  43 1
            42   42  44 2
            43    9  39 1 #Down
            44    1  18 1 #Down
            45    8  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  49 2
            50   49  50 1
            51   46  50 2
            52    9  51 1
            53   53  52 1 #Up
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   56  57 1
            58   57  58 1
            59   53  58 1
            60   55  59 1 #Down
            61   59  60 1
            62   56  61 1 #Down
            63   57  62 1 #Up
            64   58  63 1 #Up
            65   64  63 1 #Down
            66   64  65 1
            67   65  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1
            71   64  69 1
            72   66  70 1 #Up
            73   67  71 1 #Down
            74   68  72 1 #Up
            75   69  73 1 #Up
            76   51  74 1
            77   74  75 1
            78   75  76 2
            79   76  77 1
            80   77  78 1
            81   74  78 2
            82   51  52 1 #Down
            83   79  80 1
            84   49  80 1
            85   79  81 1
            86   81  82 2
            87   82  83 1
            88   80  83 2
            89   82  84 1
            90   84  85 1
            91   84  86 2
            92   72  87 1
            93   87  88 1
            94   87  89 2
            95   70  90 1
            96   85  91 1
            97   91  92 1
            98   92  93 1
            99   93  94 1
            100  94  95 1
            101  94  96 1

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