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
LinkDB
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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