KEGG   COMPOUND: C12389Help
Entry
C12389                      Compound                               

Name
Mithramycin;
Plicamycin
Formula
C52H76O24
Exact mass
1084.4727
Mol weight
1085.1454
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Biosynthesis of type II polyketide products
Biosynthesis of antibiotics
Module
M00782  
Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin
Brite
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
     L01DC02 Plicamycin
      D00468  Plicamycin (USP/INN)
Target-based classification of drugs [BR:br08310]
 Others
  Nucleic acid
   RNA synthesis
    Plicamycin
     D00468  Plicamycin (USP/INN)
BRITE hierarchy
Other DBs
CAS: 
18378-89-7
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        76
            1   C1y C    36.5380  -29.4230
            2   O2x O    35.3285  -28.7769
            3   C1y C    34.1614  -29.5032
            4   C1y C    34.1368  -30.8771
            5   C1z C    35.4163  -31.5231
            6   C1x C    36.5146  -30.7968
            7   C1y C    38.7977  -25.2168
            8   O2x O    37.6006  -24.5772
            9   C1y C    36.4334  -25.3033
            10  C1y C    36.4086  -26.6771
            11  C1y C    37.6756  -27.3168
            12  C1x C    38.7741  -26.5907
            13  O2a O    37.7208  -28.6871
            14  C1y C    41.0633  -21.0204
            15  O2x O    39.8487  -20.3527
            16  C1y C    38.6731  -21.0649
            17  C1y C    38.6332  -22.4392
            18  C1y C    39.9165  -23.1068
            19  C1x C    41.0922  -22.3946
            20  C1y C    30.2598  -19.7618
            21  O2x O    29.0777  -19.0793
            22  C1y C    27.8872  -19.7666
            23  C1y C    27.8873  -21.1412
            24  C1y C    29.0694  -21.8237
            25  C1x C    30.2598  -21.1364
            26  C1y C    30.2763  -15.6284
            27  C1y C    30.2763  -17.0031
            28  C1y C    31.4667  -17.6903
            29  C1x C    32.6572  -17.0031
            30  C1y C    32.6572  -15.6284
            31  O2x O    31.4667  -14.9412
            32  C8y C    35.0380  -17.0031
            33  C8y C    35.0380  -15.6284
            34  O2a O    33.8477  -14.9412
            35  C8y C    36.2286  -17.6903
            36  C8y C    37.4190  -17.0031
            37  C8y C    37.4190  -15.6284
            38  C8x C    36.2286  -14.9412
            39  C8y C    38.6094  -17.6903
            40  C8y C    39.7999  -17.0031
            41  C8y C    39.7999  -15.6284
            42  C8x C    38.6094  -14.9412
            43  C5x C    40.9903  -17.6903
            44  C1y C    42.1808  -17.0031
            45  C1y C    42.1808  -15.6284
            46  C1x C    40.9903  -14.9412
            47  C1a C    29.0859  -14.9412
            48  O2a O    31.4667  -19.0648
            49  O1a O    29.0859  -17.6903
            50  O5a O    44.5617  -17.0031
            51  C5a C    44.5617  -15.6284
            52  C1c C    43.3713  -14.9412
            53  O1a O    46.9427  -17.0031
            54  C1c C    46.9427  -15.6284
            55  C1c C    45.7522  -14.9412
            56  O2a O    42.2496  -20.3021
            57  O2a O    43.3713  -13.5669
            58  O5x O    40.9903  -19.0650
            59  O1a O    38.6094  -19.0649
            60  O1a O    36.2286  -19.0647
            61  O1a O    45.7522  -13.5665
            62  C1a C    48.1077  -14.9554
            63  C1a C    42.2053  -12.8935
            64  C1a C    37.4737  -20.3661
            65  O2a O    39.9617  -24.4932
            66  O1a O    29.0692  -23.1885
            67  C1a C    26.6782  -19.0687
            68  O1a O    26.6908  -21.8321
            69  O1a O    37.4718  -23.1216
            70  C1a C    35.2500  -24.6710
            71  C1a C    32.9780  -28.8709
            72  C1a C    34.4443  -32.7013
            73  O1a O    36.3884  -32.7013
            74  O1a O    33.0260  -31.6117
            75  O1a O    35.2918  -27.4152
            76  C1a C    33.8332  -17.6988
BOND        83
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   11  13 1 #Up
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   14  19 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   20  25 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   26  31 1
            32   32  33 2
            33   33  34 1
            34   32  35 1
            35   35  36 2
            36   36  37 1
            37   37  38 2
            38   33  38 1
            39   36  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   37  42 1
            44   40  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   41  46 1
            49   30  34 1 #Up
            50   26  47 1 #Up
            51   28  48 1 #Up
            52   27  49 1 #Down
            53   50  51 2
            54   51  52 1
            55   45  52 1
            56   54  55 1
            57   51  55 1
            58   44  56 1 #Down
            59   52  57 1 #Down
            60   43  58 2
            61   39  59 1
            62   35  60 1
            63   54  53 1 #Up
            64   55  61 1 #Up
            65   54  62 1
            66   57  63 1
            67   20  48 1 #Up
            68   14  56 1 #Up
            69   16  64 1 #Up
            70   18  65 1 #Up
            71   24  66 1 #Up
            72   22  67 1 #Up
            73   23  68 1 #Down
            74   17  69 1 #Down
            75    7  65 1 #Up
            76    1  13 1 #Up
            77    9  70 1 #Up
            78    3  71 1 #Up
            79    5  72 1 #Up
            80    5  73 1 #Down
            81    4  74 1 #Down
            82   10  75 1 #Up
            83   32  76 1

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