KEGG   COMPOUND: C12387Help
Entry
C12387                      Compound                               

Name
Premithramycin A3
Formula
C41H52O18
Exact mass
832.3154
Mol weight
832.8408
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
2.1.1.-         2.4.1.-
Other DBs
PubChem: 582777
ChEBI: 32048
3DMET: B04472
NIKKAJI: J2.783.304G
KCF data Show

ATOM        59
            1   C1y C    22.1439  -27.6247
            2   C1y C    22.1439  -26.2599
            3   O2x O    23.3372  -25.5682
            4   C1y C    24.5112  -26.2599
            5   C1x C    24.5112  -27.6247
            6   C1z C    23.3372  -28.2978
            7   O2a O    25.7004  -25.5754
            8   C1a C    20.9653  -25.5734
            9   O1a O    20.9674  -28.3053
            10  O1a O    24.2882  -29.2718
            11  C1a C    22.3641  -29.2718
            12  C1y C    24.5050  -23.5377
            13  C1y C    24.5050  -22.1729
            14  O2x O    25.6981  -21.4810
            15  C1y C    26.8723  -22.1729
            16  C1x C    26.8723  -23.5377
            17  C1y C    25.6981  -24.2106
            18  O2a O    28.0520  -21.4885
            19  C1a C    23.3265  -21.4862
            20  O1a O    23.3285  -24.2183
            21  C1y C    26.8659  -19.4412
            22  C1y C    26.8659  -18.0764
            23  O2x O    28.0495  -17.3940
            24  C1y C    29.2332  -18.0764
            25  C1x C    29.2332  -19.4412
            26  C1y C    28.0495  -20.1236
            27  O2a O    30.4129  -17.4013
            28  C1a C    25.6874  -17.3992
            29  O1a O    25.6895  -20.1311
            30  O1a O    33.9353  -12.1547
            31  C1x C    29.2721  -12.1547
            32  C8y C    23.4277  -12.8060
            33  C8x C    24.6028  -12.1424
            34  C8y C    25.7686  -12.8155
            35  C8x C    26.9344  -12.1520
            36  C8y C    28.1002  -12.8155
            37  C8y C    23.4329  -14.1503
            38  C1y C    30.4318  -12.8248
            39  C1y C    31.6071  -12.1615
            40  C2y C    32.7633  -12.8248
            41  C8y C    24.6028  -14.8233
            42  C8y C    25.7593  -14.1598
            43  C8y C    26.9251  -14.8327
            44  C8y C    28.0909  -14.1694
            45  C5x C    29.2660  -14.8327
            46  C1z C    30.4224  -14.1787
            47  C5x C    31.5976  -14.8422
            48  C2y C    32.7540  -14.1787
            49  C5a C    33.9291  -14.8518
            50  C1a C    35.0949  -14.1882
            51  O1a O    24.5935  -16.1691
            52  O1a O    26.9251  -16.1786
            53  O5x O    29.2567  -16.1882
            54  O5x O    31.5882  -16.1882
            55  O5a O    33.9198  -16.1975
            56  O1a O    22.2619  -12.1424
            57  O2a O    31.5976  -10.7871
            58  C1a C    32.7711  -10.1013
            59  C1a C    22.2549  -14.8279
BOND        65
            1    26  18 1 #Up
            2    12  13 1
            3    13  14 1
            4    14  15 1
            5    15  16 1
            6    32  33 1
            7    16  17 1
            8    33  34 2
            9    17  12 1
            10   34  35 1
            11    2   3 1
            12   35  36 2
            13   36  31 1
            14   15  18 1 #Up
            15   32  37 2
            16    1   9 1 #Down
            17   31  38 1
            18   13  19 1 #Up
            19   38  39 1
            20    3   4 1
            21   39  40 1
            22   40  30 1
            23   12  20 1 #Up
            24   37  41 1
            25   17   7 1 #Up
            26   41  42 2
            27    6  10 1 #Down
            28   42  43 1
            29    4   5 1
            30   43  44 2
            31    6  11 1 #Up
            32   44  45 1
            33    5   6 1
            34   45  46 1
            35    6   1 1
            36   46  47 1
            37   47  48 1
            38   21  22 1
            39   48  49 1
            40   22  23 1
            41   49  50 1
            42   23  24 1
            43   41  51 1
            44   24  25 1
            45   43  52 1
            46   25  26 1
            47   45  53 2
            48   26  21 1
            49   47  54 2
            50    4   7 1 #Up
            51   49  55 2
            52   24  27 1 #Up
            53   32  56 1
            54   34  42 1
            55   36  44 1
            56   38  46 1
            57   40  48 2
            58    1   2 1
            59   46  27 1 #Down
            60   22  28 1 #Up
            61   39  57 1 #Down
            62    2   8 1 #Up
            63   57  58 1
            64   21  29 1 #Down
            65   37  59 1

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