KEGG   COMPOUND: C11987Help
Entry
C11987                      Compound                               

Name
Megalomicin C1
Formula
C48H84N2O17
Exact mass
960.577
Mol weight
961.1838
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
   C11987  Megalomicin C1
BRITE hierarchy
Other DBs
CAS: 49669-76-3
PubChem: 14148
ChEBI: 29626
LIPIDMAPS: LMPK04000028
3DMET: B04393
KCF data Show

ATOM        67
            1   O2x O    25.3906  -12.8491
            2   C1y C    26.0974  -14.0813
            3   C1y C    26.0974  -11.6401
            4   C1x C    27.4990  -14.0813
            5   C1y C    27.4990  -11.6401
            6   C1y C    28.1999  -12.8548
            7   O1a O    28.1999  -10.4077
            8   N1c N    29.6124  -12.8518
            9   C1a C    25.4006  -10.4253
            10  C1a C    30.3213  -14.0737
            11  C1a C    30.3162  -11.6270
            12  C1y C    24.5329  -17.4881
            13  C1y C    23.2831  -18.2181
            14  O2a O    25.7476  -18.2122
            15  C1z C    24.5329  -16.0630
            16  C1y C    23.2831  -19.6490
            17  C1a C    22.4126  -17.1959
            18  C1y C    26.9800  -17.4881
            19  C1x C    23.2831  -15.3504
            20  C1a C    25.7419  -15.5899
            21  O2a O    24.7431  -14.6204
            22  O2a O    24.5212  -20.2740
            23  C1y C    22.0507  -20.3615
            24  C1y C    27.6868  -18.7203
            25  O2x O    27.6868  -16.2791
            26  C1y C    23.2831  -13.9136
            27  C1y C    25.2045  -21.4537
            28  C7x C    20.8183  -19.6490
            29  C1a C    22.0507  -21.8100
            30  C1y C    29.0884  -18.7203
            31  O1a O    26.8865  -19.8593
            32  C1y C    29.0884  -16.2791
            33  C5x C    22.0507  -13.1894
            34  C1a C    24.1129  -12.9094
            35  C1x C    25.1987  -22.8204
            36  O2x O    26.3784  -20.7821
            37  O7x O    20.8183  -18.2181
            38  O6a O    19.9831  -20.2272
            39  C1x C    29.7893  -17.4939
            40  N1c N    30.2274  -19.7542
            41  C1a C    29.7893  -15.2567
            42  C1y C    20.8183  -13.9136
            43  O5x O    22.0507  -11.7644
            44  C1z C    26.3609  -23.5038
            45  C1y C    27.5583  -21.4771
            46  C1y C    19.5626  -17.4881
            47  C1a C    31.5236  -18.8258
            48  C1a C    31.3838  -20.4667
            49  C1y C    20.8183  -15.3504
            50  C1a C    19.5626  -13.1894
            51  C1y C    27.5466  -22.8380
            52  C1a C    27.2253  -24.5609
            53  O7a O    25.5258  -24.6310
            54  C1a C    28.7148  -20.5662
            55  C1z C    19.5626  -16.0630
            56  C1b C    18.3185  -18.2007
            57  O1a O    22.0448  -16.0570
            58  O7a O    28.7088  -23.5038
            59  C1a C    18.3595  -15.2628
            60  O1a O    19.5451  -14.6670
            61  C1a C    18.3068  -19.6373
            62  C7a C    29.8665  -22.8302
            63  C1a C    31.0288  -23.4960
            64  O6a O    29.8621  -21.7708
            65  C7a C    24.3144  -23.9299
            66  C1a C    23.1076  -24.6286
            67  O6a O    24.3142  -22.5326
BOND        70
            1     3   9 1 #Up
            2     1   3 1
            3     8  10 1
            4     2   4 1
            5     8  11 1
            6     3   5 1
            7     4   6 1
            8    12  13 1
            9    12  14 1 #Down
            10   12  15 1
            11   13  16 1
            12   13  17 1 #Down
            13   18  14 1 #Down
            14   15  19 1
            15   15  20 1 #Down
            16   15  21 1 #Up
            17   16  22 1 #Down
            18   16  23 1
            19   18  24 1
            20   18  25 1
            21   19  26 1
            22   27  22 1 #Down
            23   23  28 1
            24   23  29 1 #Up
            25   24  30 1
            26   24  31 1 #Up
            27   25  32 1
            28   26  33 1
            29   26  34 1 #Down
            30   27  35 1
            31   27  36 1
            32   28  37 1
            33   28  38 2
            34   30  39 1
            35   30  40 1 #Down
            36   32  41 1 #Down
            37   33  42 1
            38   33  43 2
            39   35  44 1
            40   36  45 1
            41   37  46 1
            42   40  47 1
            43   40  48 1
            44   42  49 1
            45   42  50 1 #Up
            46   44  51 1
            47   44  52 1 #Up
            48   44  53 1 #Down
            49   45  54 1 #Up
            50   46  55 1
            51   46  56 1 #Down
            52   49  57 1 #Up
            53   51  58 1 #Down
            54   55  59 1 #Down
            55   55  60 1 #Up
            56   56  61 1
            57   32  39 1
            58   45  51 1
            59   49  55 1
            60    2  21 1 #Down
            61    5   7 1 #Down
            62   58  62 1
            63    5   6 1
            64   62  63 1
            65   62  64 2
            66   53  65 1
            67    6   8 1 #Down
            68   65  66 1
            69    1   2 1
            70   65  67 2

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