KEGG   COMPOUND: C22347
Entry
C22347                      Compound                               
Name
Bisanhydrobacterioruberin;
2,2'-Bis(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol
Formula
C50H72O2
Exact mass
704.5532
Mol weight
705.1055
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.99.37       4.2.1.161
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0108 Polyterpenes
    C22347  Bisanhydrobacterioruberin
Other DBs
LIPIDMAPS: LMPR01080025
KCF data

ATOM        52
            1   C1a C     8.9650  -16.7080
            2   C1d C    10.1585  -16.0060
            3   C1c C    11.4221  -16.7080
            4   C2b C    12.6155  -16.0060
            5   C2b C    13.8090  -16.7080
            6   C2c C    15.0726  -16.0060
            7   C2b C    16.2660  -16.7080
            8   C2b C    17.4594  -16.0060
            9   C2b C    18.7231  -16.7080
            10  C2c C    19.9165  -16.0060
            11  C2b C    21.0397  -16.7080
            12  C2b C    22.3033  -16.0060
            13  C2b C    23.4968  -16.7080
            14  C2c C    24.6902  -16.0060
            15  C2b C    25.8836  -16.7080
            16  C2b C    27.1473  -16.0060
            17  C2b C    28.3407  -16.7080
            18  C2b C    29.5341  -16.0060
            19  C2c C    30.7977  -16.7080
            20  C2b C    31.9912  -16.0060
            21  C2b C    33.1846  -16.7080
            22  C2b C    34.4482  -16.0060
            23  C2c C    35.6417  -16.7080
            24  C2b C    36.8351  -16.0060
            25  C2b C    38.0987  -16.7080
            26  C2b C    39.2921  -16.0060
            27  C2c C    40.4856  -16.7080
            28  C2b C    41.7492  -16.0060
            29  C2b C    42.9426  -16.7080
            30  C1c C    44.1360  -16.0060
            31  C1d C    45.3997  -16.7080
            32  C1a C    46.5931  -16.0060
            33  O1a O    10.1585  -14.6721
            34  C1a C    15.0726  -14.6721
            35  C1a C    19.9165  -14.6721
            36  C1a C    24.6902  -14.6721
            37  C1a C    30.7977  -18.1120
            38  C1a C    35.6417  -18.1120
            39  C1a C    40.4856  -18.1120
            40  C1b C    11.4221  -18.1120
            41  C2b C    10.1585  -18.8140
            42  C2c C    10.1585  -20.2181
            43  C1a C     8.9650  -20.9201
            44  C1a C    11.3519  -20.9201
            45  O1a O    45.3997  -18.3226
            46  C1a C     8.9650  -15.3040
            47  C1b C    44.1360  -14.6721
            48  C2b C    45.1189  -13.6191
            49  C2c C    45.1189  -12.2151
            50  C1a C    46.3123  -11.5833
            51  C1a C    43.8552  -11.5131
            52  C1a C    46.5931  -17.4100
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39    3  40 1 #Down
            40   40  41 1
            41   41  42 2
            42   42  43 1
            43   42  44 1
            44   31  45 1
            45    2  46 1
            46   30  47 1 #Down
            47   47  48 1
            48   48  49 2
            49   49  50 1
            50   49  51 1
            51   31  52 1

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