KEGG   COMPOUND: C18711Help
Entry
C18711                      Compound                               

Name
Mithramycin DK
Formula
C52H74O24
Exact mass
1082.457
Mol weight
1083.1296
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00782  Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin
Enzyme
1.14.13.-
Other DBs
PubChem: 124489385
ChEBI: 81906
LinkDB All DBs
KCF data Show

ATOM        76
            1   C8y C    24.2200  -12.3900
            2   C8y C    24.2200  -13.7900
            3   C8y C    25.4100  -14.4900
            4   C8y C    26.6000  -13.7900
            5   C8y C    26.6000  -12.3900
            6   C8x C    25.4100  -11.6900
            7   C8y C    27.7900  -14.4900
            8   C8y C    28.9800  -13.7900
            9   C8y C    28.9800  -12.3900
            10  C8x C    27.7900  -11.6900
            11  C5x C    30.2400  -14.4900
            12  C1y C    31.4300  -13.7900
            13  C1y C    31.4300  -12.3900
            14  C1x C    30.2400  -11.6900
            15  C5a C    33.8800  -12.3900
            16  C1c C    32.6200  -11.6900
            17  O5x O    30.2400  -15.8200
            18  C1a C    23.0300  -14.4900
            19  O2a O    23.0300  -11.6900
            20  O1a O    25.4100  -15.8200
            21  O1a O    27.7900  -15.8200
            22  O2a O    32.6200  -10.2900
            23  C1y C    23.2400  -27.1600
            24  C1y C    23.2400  -25.7600
            25  O2x O    24.4300  -25.1300
            26  C1y C    25.6200  -25.7600
            27  C1x C    25.6200  -27.1600
            28  C1z C    24.4300  -27.7900
            29  O2a O    26.7400  -25.1300
            30  C1a C    22.1200  -25.1300
            31  O1a O    22.1200  -27.7900
            32  O1a O    25.4100  -28.7700
            33  C1a C    23.4500  -28.7700
            34  C1y C    25.6200  -23.1000
            35  C1y C    25.6200  -21.7700
            36  O2x O    26.7400  -21.0700
            37  C1y C    27.9300  -21.7700
            38  C1x C    27.9300  -23.1000
            39  C1y C    26.7400  -23.8000
            40  O2a O    29.1200  -21.0700
            41  C1a C    24.4300  -21.0700
            42  O1a O    24.4300  -23.8000
            43  C1y C    27.9300  -19.0400
            44  C1y C    27.9300  -17.6400
            45  O2x O    29.1200  -16.9400
            46  C1y C    30.3100  -17.6400
            47  C1x C    30.3100  -19.0400
            48  C1y C    29.1200  -19.6700
            49  O2a O    31.4300  -17.0100
            50  C1a C    26.7400  -17.0100
            51  O1a O    26.7400  -19.7400
            52  C1y C    19.3900  -12.3900
            53  C1y C    19.3900  -13.7900
            54  C1y C    20.5800  -14.4900
            55  C1x C    21.8400  -13.7900
            56  C1y C    21.8400  -12.3900
            57  O2x O    20.5800  -11.6900
            58  O2a O    20.5800  -15.8200
            59  C1a C    18.2000  -11.6900
            60  O1a O    18.2000  -14.4900
            61  C1y C    16.9400  -16.5200
            62  C1y C    16.9400  -17.9200
            63  C1y C    18.1300  -18.6200
            64  C1x C    19.3900  -17.9200
            65  C1y C    19.3900  -16.5200
            66  O2x O    18.1300  -15.8200
            67  O1a O    18.1300  -20.0200
            68  C1a C    15.7500  -15.8200
            69  O1a O    15.7500  -18.6200
            70  C1c C    35.0924  -11.6900
            71  C5a C    36.3049  -12.3900
            72  C1a C    37.5173  -11.6900
            73  O5a O    33.8916  -13.7900
            74  O5a O    36.3049  -13.7898
            75  C1a C    31.4076   -9.5900
            76  O1a O    35.0924  -10.2900
BOND        83
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   15  16 1
            18   13  16 1
            19   11  17 2
            20    2  18 1
            21    1  19 1
            22    3  20 1
            23    7  21 1
            24   16  22 1 #Down
            25   48  40 1 #Up
            26   34  35 1
            27   35  36 1
            28   36  37 1
            29   37  38 1
            30   38  39 1
            31   39  34 1
            32   24  25 1
            33   37  40 1 #Up
            34   23  31 1 #Down
            35   35  41 1 #Up
            36   25  26 1
            37   34  42 1 #Up
            38   39  29 1 #Up
            39   28  32 1 #Down
            40   26  27 1
            41   28  33 1 #Up
            42   27  28 1
            43   28  23 1
            44   43  44 1
            45   44  45 1
            46   45  46 1
            47   46  47 1
            48   47  48 1
            49   48  43 1
            50   26  29 1 #Up
            51   46  49 1 #Up
            52   23  24 1
            53   12  49 1 #Down
            54   44  50 1 #Up
            55   24  30 1 #Up
            56   43  51 1 #Down
            57   52  53 1
            58   53  54 1
            59   54  55 1
            60   55  56 1
            61   56  57 1
            62   52  57 1
            63   56  19 1 #Up
            64   54  58 1 #Up
            65   52  59 1 #Up
            66   53  60 1 #Down
            67   61  62 1
            68   62  63 1
            69   63  64 1
            70   64  65 1
            71   65  66 1
            72   61  66 1
            73   63  67 1 #Up
            74   61  68 1 #Up
            75   62  69 1 #Down
            76   65  58 1 #Up
            77   15  70 1
            78   70  71 1
            79   71  72 1
            80   15  73 2
            81   71  74 2
            82   22  75 1
            83   70  76 1 #Up

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