KEGG   COMPOUND: C11986Help
Entry
C11986                      Compound                               

Name
Megalomicin B;
4'-Acetylmegalomycin A
Formula
C46H82N2O16
Exact mass
918.5664
Mol weight
919.1471
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map01130  Biosynthesis of antibiotics
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C11986  Megalomicin B
BRITE hierarchy
Other DBs
CAS: 49669-75-2
PubChem: 14147
ChEBI: 29625
LIPIDMAPS: LMPK04000027
3DMET: B04392
NIKKAJI: J78.367F
KCF data Show

ATOM        64
            1   O2x O    25.4502  -12.8889
            2   C1y C    26.1570  -14.1210
            3   C1y C    26.1570  -11.6800
            4   C1x C    27.5584  -14.1210
            5   C1y C    27.5584  -11.6800
            6   C1y C    28.2592  -12.8946
            7   O1a O    28.2592  -10.4477
            8   N1c N    29.6717  -12.8916
            9   C1a C    25.4602  -10.4654
            10  C1a C    30.3805  -14.1134
            11  C1a C    30.3754  -11.6670
            12  C1y C    24.5926  -17.5275
            13  C1y C    23.3429  -18.2574
            14  O2a O    25.8072  -18.2515
            15  C1z C    24.5926  -16.1025
            16  C1y C    23.3429  -19.6882
            17  C1a C    22.3325  -17.2353
            18  C1y C    27.0395  -17.5275
            19  C1x C    23.3429  -15.3900
            20  C1a C    25.7315  -15.6295
            21  O2a O    24.8028  -14.6600
            22  O2a O    24.5809  -20.3131
            23  C1y C    22.1106  -20.4007
            24  C1y C    27.7462  -18.7596
            25  O2x O    27.7462  -16.3186
            26  C1y C    23.3429  -13.9533
            27  C1y C    25.2641  -21.4927
            28  C7x C    20.8784  -19.6882
            29  C1a C    22.1106  -21.8490
            30  C1y C    29.1477  -18.7596
            31  O1a O    26.9460  -19.8985
            32  C1y C    29.1477  -16.3186
            33  C5x C    22.1106  -13.2291
            34  C1a C    24.1726  -12.9491
            35  C1x C    25.2583  -22.8593
            36  O2x O    26.4379  -20.8212
            37  O7x O    20.8784  -18.2574
            38  O6a O    19.8333  -20.3364
            39  C1x C    29.8485  -17.5332
            40  N1c N    30.2866  -19.7933
            41  C1a C    29.8485  -15.0863
            42  C1y C    20.8784  -13.9533
            43  O5x O    22.1106  -11.8043
            44  C1z C    26.4205  -23.5426
            45  C1y C    27.6177  -21.5161
            46  C1y C    19.6227  -17.5275
            47  C1a C    31.3727  -19.0751
            48  C1a C    31.4429  -20.5058
            49  C1y C    20.8784  -15.3900
            50  C1a C    19.6227  -13.2291
            51  C1y C    27.6760  -22.8769
            52  C1a C    27.2847  -24.5996
            53  O1a O    25.5854  -24.6697
            54  C1a C    28.7041  -20.6753
            55  C1z C    19.6227  -16.1025
            56  C1b C    18.3788  -18.2400
            57  O1a O    22.1047  -16.0966
            58  O7a O    28.7682  -23.5426
            59  C1a C    18.4198  -15.3024
            60  O1a O    19.6052  -14.7066
            61  C1a C    18.4371  -19.6765
            62  C7a C    29.9257  -22.8691
            63  C1a C    31.0879  -23.5348
            64  O6a O    29.9913  -21.7398
BOND        67
            1     6   8 1 #Down
            2     1   2 1
            3     3   9 1 #Up
            4     1   3 1
            5     8  10 1
            6     2   4 1
            7     8  11 1
            8     3   5 1
            9     4   6 1
            10   12  13 1
            11   12  14 1 #Down
            12   12  15 1
            13   13  16 1
            14   13  17 1 #Down
            15   18  14 1 #Down
            16   15  19 1
            17   15  20 1 #Down
            18   15  21 1 #Up
            19   16  22 1 #Down
            20   16  23 1
            21   18  24 1
            22   18  25 1
            23   19  26 1
            24   27  22 1 #Down
            25   23  28 1
            26   23  29 1 #Up
            27   24  30 1
            28   24  31 1 #Up
            29   25  32 1
            30   26  33 1
            31   26  34 1 #Down
            32   27  35 1
            33   27  36 1
            34   28  37 1
            35   28  38 2
            36   30  39 1
            37   30  40 1 #Down
            38   32  41 1 #Down
            39   33  42 1
            40   33  43 2
            41   35  44 1
            42   36  45 1
            43   37  46 1
            44   40  47 1
            45   40  48 1
            46   42  49 1
            47   42  50 1 #Up
            48   44  51 1
            49   44  52 1 #Up
            50   44  53 1 #Down
            51   45  54 1 #Up
            52   46  55 1
            53   46  56 1 #Down
            54   49  57 1 #Up
            55   51  58 1 #Down
            56   55  59 1 #Down
            57   55  60 1 #Up
            58   56  61 1
            59   32  39 1
            60   45  51 1
            61   49  55 1
            62    2  21 1 #Down
            63    5   7 1 #Down
            64   58  62 1
            65    5   6 1
            66   62  63 1
            67   62  64 2

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