KEGG   COMPOUND: C15898
Entry
C15898                      Compound                               
Name
Demethylspheroidene
Formula
C40H58O
Exact mass
554.4488
Mol weight
554.8879
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.99.27       2.1.1.210
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C15898  Demethylspheroidene
Other DBs
PubChem: 47205217
ChEBI: 62505
LIPIDMAPS: LMPR01070120
KNApSAcK: C00000923
NIKKAJI: J1.629.941C
KCF data

ATOM        41
            1   C1a C    12.3673  -20.4892
            2   C1d C    13.5811  -19.7890
            3   C1b C    14.7947  -20.4892
            4   C2b C    16.0085  -19.7890
            5   C2b C    17.2221  -20.4892
            6   C2c C    18.4358  -19.7890
            7   C2b C    19.6496  -20.4892
            8   C2b C    20.8632  -19.7890
            9   C2b C    22.0769  -20.4892
            10  C2c C    23.2906  -19.7890
            11  C2b C    24.5043  -20.4892
            12  C2b C    25.7179  -19.7890
            13  C2b C    26.9317  -20.4892
            14  C2c C    28.1454  -19.7890
            15  C2b C    29.3590  -20.4892
            16  C2b C    30.5728  -19.7890
            17  C2b C    31.7864  -20.4892
            18  C2b C    33.0001  -19.7890
            19  C2c C    34.2139  -20.4892
            20  C2b C    35.4275  -19.7890
            21  C2b C    36.6412  -20.4892
            22  C2b C    37.8549  -19.7890
            23  C2c C    39.0686  -20.4892
            24  C1b C    40.2823  -19.7890
            25  C1b C    41.4961  -20.4892
            26  C2b C    42.7098  -19.7890
            27  C2c C    43.9234  -20.4892
            28  C1b C    45.0905  -19.7890
            29  C1b C    46.3041  -20.4892
            30  C2b C    47.5179  -19.7890
            31  C2c C    48.7316  -20.4892
            32  C1a C    49.9452  -19.7890
            33  O1a O    13.5811  -18.3886
            34  C1a C    18.4358  -18.3886
            35  C1a C    23.2906  -18.3886
            36  C1a C    28.1454  -18.3886
            37  C1a C    34.2139  -21.8896
            38  C1a C    39.0686  -21.8896
            39  C1a C    43.9234  -21.8896
            40  C1a C    48.7316  -21.8896
            41  C1a C    12.3685  -19.0890
BOND        40
            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 1
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 2
            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   31  40 1
            40    2  41 1

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