KEGG   COMPOUND: C18710Help
Entry
C18710                      Compound                               

Name
3A-Deolivosylpremithramycin B
Formula
C47H62O21
Exact mass
962.3784
Mol weight
962.9826
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
2.4.1.-
Other DBs
PubChem: 124489384
ChEBI: 81905
LinkDB All DBs
KCF data Show

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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