KEGG   COMPOUND: C15773Help
Entry
C15773                      Compound                               

Name
Bleomycin
Formula
C50H71N16O21S2R
Structure
Mol fileKCF fileDB search
Remark
Same as: D07535
Comment
Generic compound
Bleomycin A [CPD:C15774]
Bleomycin B [CPD:C15775]
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C15773  Bleomycin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DC Other cytotoxic antibiotics
     L01DC01 Bleomycin
      D07535  Bleomycin (INN)
BRITE hierarchy
Other DBs
CAS: 11056-06-7
PubChem: 47205099
ChEBI: 3139
NIKKAJI: J2.278K
KCF data Show

ATOM        90
            1   C1c C    32.2981  -16.7719
            2   C5a C    33.4867  -16.0727
            3   N1b N    34.6752  -16.7719
            4   C1c C    32.2981  -18.1702
            5   O1a O    31.1095  -18.8693
            6   C1a C    33.4867  -18.8693
            7   O5a O    33.4867  -14.6744
            8   C1b C    35.8638  -16.0727
            9   C1c C    24.0481  -19.4287
            10  C5a C    25.2366  -18.7295
            11  N1b N    26.3552  -19.4287
            12  O5a O    25.2366  -17.3312
            13  C1c C    27.5438  -18.7295
            14  C1c C    27.5438  -16.7719
            15  C1c C    28.7325  -16.0727
            16  O1a O    26.3552  -16.0727
            17  C5a C    29.9210  -16.7719
            18  N1b N    31.1095  -16.0727
            19  O5a O    29.9210  -18.1702
            20  C1a C    28.7325  -14.6744
            21  C1a C    28.7325  -19.4287
            22  N5x N    19.2239  -15.2338
            23  C8y C    19.2239  -16.6321
            24  C8y C    20.4125  -17.3312
            25  C8y C    21.6710  -16.6321
            26  N5x N    21.6710  -15.2338
            27  C8y C    20.4125  -14.5346
            28  C1c C    20.4125  -13.1363
            29  N1a N    18.0354  -17.3312
            30  C5a C    22.8595  -17.3312
            31  N1b N    21.6011  -12.4370
            32  C1b C    22.7896  -13.1363
            33  C1c C    23.9781  -12.4370
            34  C5a C    25.1667  -13.1363
            35  N1a N    23.9781  -11.0387
            36  N1a N    26.3552  -12.4370
            37  O5a O    25.1667  -14.5346
            38  O5a O    24.0481  -16.6321
            39  N1b N    22.8595  -18.7295
            40  C1a C    20.4125  -18.7295
            41  C1b C    19.2239  -12.4370
            42  C5a C    18.0354  -13.1363
            43  N1a N    16.8468  -12.4370
            44  O5a O    18.0354  -14.5346
            45  C1b C    37.0523  -16.7719
            46  C8y C    37.0523  -18.1702
            47  S2x S    35.9337  -19.0092
            48  C8x C    36.3532  -20.3375
            49  C8y C    37.8214  -20.3375
            50  N5x N    38.2410  -19.0092
            51  C1c C    24.0481  -20.8270
            52  O2a O    22.8595  -21.5262
            53  C1y C    21.6011  -20.8969
            54  O2x O    20.4125  -20.1977
            55  C1y C    19.1541  -20.8969
            56  C1y C    19.1541  -22.2952
            57  C1y C    20.4125  -22.9943
            58  C1y C    21.6011  -22.2952
            59  C1b C    17.9654  -20.1977
            60  O1a O    16.7769  -20.8969
            61  O1a O    17.9654  -22.9943
            62  O1a O    20.4125  -24.3227
            63  O2a O    22.7896  -22.9943
            64  C1y C    22.7896  -24.3227
            65  O2x O    21.6011  -25.0219
            66  C1y C    21.6011  -26.4203
            67  C1y C    22.7896  -27.1193
            68  C1y C    24.0481  -26.4203
            69  C1y C    24.0481  -25.0219
            70  C1b C    20.4125  -27.1193
            71  O1a O    22.7896  -28.5176
            72  O7a O    25.4463  -27.1193
            73  O1a O    25.2366  -24.3227
            74  C8y C    25.2366  -21.5262
            75  N5x N    25.2366  -22.9244
            76  C8x C    26.4951  -23.3439
            77  N4x N    27.3341  -22.2253
            78  C8x C    26.4951  -21.1067
            79  S2x S    37.6961  -22.6795
            80  C8y C    38.5206  -21.5485
            81  C8x C    38.5178  -23.8109
            82  C8y C    39.8479  -23.3790
            83  N5x N    39.8481  -21.9808
            84  C5a C    41.0586  -24.0785
            85  R   R    42.2697  -23.3795
            86  O5a O    41.0588  -25.5111
            87  C7a C    26.8727  -26.4301
            88  N1a N    28.0528  -27.1243
            89  O6a O    26.8845  -25.0225
            90  O1a O    19.1959  -26.4301
BOND        95
            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

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