KEGG   COMPOUND: C03226Help
Entry
C03226                      Compound                               

Name
3-Demethylubiquinone-9
Formula
C53H80O4
Exact mass
780.6057
Mol weight
781.1999
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR02 Quinones and hydroquinones
   PR0201 Ubiquinones
    C03226  3-Demethylubiquinone-9
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C1b C    15.3547  -21.6356
            2   C2b C    16.5726  -20.9295
            3   C2c C    17.7905  -21.6356
            4   C1a C    19.0081  -20.9295
            5   C1a C    17.7905  -23.0407
            6   C1b C    10.4897  -21.6428
            7   C2b C    11.7077  -20.9366
            8   C2c C    12.9254  -21.6428
            9   C1b C    14.1432  -20.9366
            10  C1a C    12.9254  -23.0478
            11  C2y C     9.2698  -20.9300
            12  C5x C     8.0676  -21.6224
            13  C2y C     9.2667  -19.5389
            14  C2y C     6.8922  -20.9236
            15  O5x O     8.0619  -22.9837
            16  C5x C     8.0676  -18.8519
            17  C2y C     6.8922  -19.5389
            18  O2a O     5.6992  -21.5933
            19  O5x O     8.0619  -17.4847
            20  O1a O     5.6992  -18.8519
            21  C1a C     4.5248  -20.9061
            22  C1a C    10.4608  -18.8448
            23  C1b C    10.4897  -21.6428
            24  C2b C    11.7077  -20.9366
            25  C2c C    12.9254  -21.6428
            26  C1b C    14.1432  -20.9366
            27  C1a C    12.9254  -23.0478
            28  C1b C    10.4897  -21.6428
            29  C2b C    11.7077  -20.9366
            30  C2c C    12.9254  -21.6428
            31  C1b C    14.1432  -20.9366
            32  C1a C    12.9254  -23.0478
            33  C1b C    10.4897  -21.6428
            34  C2b C    11.7077  -20.9366
            35  C2c C    12.9254  -21.6428
            36  C1b C    14.1432  -20.9366
            37  C1a C    12.9254  -23.0478
            38  C1b C    10.4897  -21.6428
            39  C2b C    11.7077  -20.9366
            40  C2c C    12.9254  -21.6428
            41  C1b C    14.1432  -20.9366
            42  C1a C    12.9254  -23.0478
            43  C1b C    10.4897  -21.6428
            44  C2b C    11.7077  -20.9366
            45  C2c C    12.9254  -21.6428
            46  C1b C    14.1432  -20.9366
            47  C1a C    12.9254  -23.0478
            48  C1b C    10.4897  -21.6428
            49  C2b C    11.7077  -20.9366
            50  C2c C    12.9254  -21.6428
            51  C1b C    14.1432  -20.9366
            52  C1a C    12.9254  -23.0478
            53  C1b C    10.4897  -21.6428
            54  C2b C    11.7077  -20.9366
            55  C2c C    12.9254  -21.6428
            56  C1b C    14.1432  -20.9366
            57  C1a C    12.9254  -23.0478
BOND        57
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     3   5 1
            5    11  12 1
            6    11  13 2
            7    12  14 1
            8    12  15 2
            9    13  16 1
            10   14  17 2
            11   14  18 1
            12   16  19 2
            13   17  20 1
            14   18  21 1
            15   16  17 1
            16   13  22 1
            17    6   7 1
            18    7   8 2
            19    8   9 1
            20    8  10 1
            21    9   1 1
            22   23  24 1
            23   24  25 2
            24   25  26 1
            25   25  27 1
            26    6  26 1
            27   28  29 1
            28   29  30 2
            29   30  31 1
            30   30  32 1
            31   23  31 1
            32   33  34 1
            33   34  35 2
            34   35  36 1
            35   35  37 1
            36   28  36 1
            37   38  39 1
            38   39  40 2
            39   40  41 1
            40   40  42 1
            41   33  41 1
            42   43  44 1
            43   44  45 2
            44   45  46 1
            45   45  47 1
            46   38  46 1
            47   48  49 1
            48   49  50 2
            49   50  51 1
            50   50  52 1
            51   43  51 1
            52   53  54 1
            53   54  55 2
            54   55  56 1
            55   55  57 1
            56   48  56 1
            57   11  53 1
BRACKET     1    10.0100  -22.5400   10.0100  -20.4400
            1    14.7700  -20.4400   14.7700  -22.5400
            1  8
 ORIGINAL  1    6   7   8   9  10
 REPEAT    1   23  24  25  26  27  28  29  30  31  32  33  34  35  36  37  38
            1   39  40  41  42  43  44  45  46  47  48  49  50  51  52  53  54
            1   55  56  57

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