KEGG   COMPOUND: C18710
Entry
C18710                      Compound                               

Name
3A-Deolivosylpremithramycin B
Formula
C47H62O21
Exact mass
962.3784
Mol weight
962.9826
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00782  Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin
Enzyme
2.4.1.-
Other DBs
PubChem: 124489384
ChEBI: 81905
LinkDB
KCF data

ATOM        68
            1   C8y C    23.0300  -11.7600
            2   C8y C    23.0300  -13.1600
            3   C8y C    24.2200  -13.8600
            4   C8y C    25.4800  -13.1600
            5   C8y C    25.4800  -11.7600
            6   C8x C    24.2200  -11.0600
            7   C8y C    26.6700  -13.8600
            8   C8y C    27.8600  -13.1600
            9   C8y C    27.8600  -11.7600
            10  C8x C    26.6700  -11.0600
            11  C5x C    29.1200  -13.8600
            12  C1z C    30.3100  -13.1600
            13  C1y C    30.3100  -11.7600
            14  C1x C    29.1200  -11.0600
            15  C5x C    31.5000  -13.8600
            16  C2y C    32.7600  -13.1600
            17  C2y C    32.7600  -11.7600
            18  C1y C    31.5000  -11.0600
            19  O5x O    29.1200  -15.2600
            20  C1a C    21.8400  -13.8600
            21  O2a O    21.8400  -11.0600
            22  O1a O    24.2200  -15.2600
            23  O1a O    26.6700  -15.2600
            24  O5x O    31.5000  -15.2600
            25  O2a O    31.5000   -9.6600
            26  C1a C    32.6900   -8.9600
            27  O1a O    33.9500  -11.0600
            28  C5a C    33.9500  -13.8600
            29  C1a C    35.1400  -13.1600
            30  O5a O    33.9500  -15.2600
            31  C1y C    22.0500  -26.6700
            32  C1y C    22.0500  -25.2700
            33  O2x O    23.2400  -24.5700
            34  C1y C    24.4300  -25.2700
            35  C1x C    24.4300  -26.6700
            36  C1z C    23.2400  -27.3000
            37  O2a O    25.6200  -24.5700
            38  C1a C    20.9300  -24.5700
            39  O1a O    20.9300  -27.3000
            40  O1a O    24.2200  -28.2800
            41  C1a C    22.2600  -28.2800
            42  C1y C    24.4300  -22.5400
            43  C1y C    24.4300  -21.2100
            44  O2x O    25.6200  -20.5100
            45  C1y C    26.8100  -21.2100
            46  C1x C    26.8100  -22.5400
            47  C1y C    25.6200  -23.2400
            48  O2a O    28.0000  -20.5100
            49  C1a C    23.2400  -20.5100
            50  O1a O    23.2400  -23.2400
            51  C1y C    26.8100  -18.4800
            52  C1y C    26.8100  -17.0800
            53  O2x O    28.0000  -16.3800
            54  C1y C    29.1900  -17.0800
            55  C1x C    29.1900  -18.4800
            56  C1y C    28.0000  -19.1100
            57  O2a O    30.3100  -16.4500
            58  C1a C    25.6200  -16.4500
            59  O1a O    25.6200  -19.1800
            60  C1y C    18.2000  -11.7600
            61  C1y C    18.2000  -13.1600
            62  C1y C    19.3900  -13.8600
            63  C1x C    20.6500  -13.1600
            64  C1y C    20.6500  -11.7600
            65  O2x O    19.3900  -11.0600
            66  O1a O    19.3900  -15.2600
            67  C1a C    17.0100  -11.0600
            68  O1a O    17.0100  -13.8600
BOND        75
            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   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22   11  19 2
            23    2  20 1
            24    1  21 1
            25    3  22 1
            26    7  23 1
            27   15  24 2
            28   18  25 1 #Down
            29   25  26 1
            30   17  27 1
            31   16  28 1
            32   28  29 1
            33   28  30 2
            34   56  48 1 #Up
            35   42  43 1
            36   43  44 1
            37   44  45 1
            38   45  46 1
            39   46  47 1
            40   47  42 1
            41   32  33 1
            42   45  48 1 #Up
            43   31  39 1 #Down
            44   43  49 1 #Up
            45   33  34 1
            46   42  50 1 #Up
            47   47  37 1 #Up
            48   36  40 1 #Down
            49   34  35 1
            50   36  41 1 #Up
            51   35  36 1
            52   36  31 1
            53   51  52 1
            54   52  53 1
            55   53  54 1
            56   54  55 1
            57   55  56 1
            58   56  51 1
            59   34  37 1 #Up
            60   54  57 1 #Up
            61   31  32 1
            62   12  57 1 #Down
            63   52  58 1 #Up
            64   32  38 1 #Up
            65   51  59 1 #Down
            66   60  61 1
            67   61  62 1
            68   62  63 1
            69   63  64 1
            70   64  65 1
            71   60  65 1
            72   64  21 1 #Up
            73   62  66 1 #Up
            74   60  67 1 #Up
            75   61  68 1 #Down

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