KEGG   COMPOUND: C16279
Entry
C16279                      Compound                               
Name
Thiothece-474
Formula
C41H58O2
Exact mass
582.4437
Mol weight
582.898
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.99.40       2.1.1.210
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C16279  Thiothece-474
Other DBs
PubChem: 47205587
ChEBI: 80416
LIPIDMAPS: LMPR01070576
KNApSAcK: C00022996
NIKKAJI: J19.151E
KCF data

ATOM        43
            1   C2y C    20.8815  -22.9358
            2   C2b C    22.0951  -22.2357
            3   C2b C    23.3085  -22.9358
            4   C2c C    24.5221  -22.2357
            5   C2b C    25.7357  -22.9358
            6   C2b C    26.9491  -22.2357
            7   C2b C    28.1626  -22.9358
            8   C2c C    29.3761  -22.2357
            9   C2b C    30.5897  -22.9358
            10  C2b C    31.8031  -22.2357
            11  C2b C    33.0167  -22.9358
            12  C2b C    34.2302  -22.2357
            13  C2c C    35.4436  -22.9358
            14  C2b C    36.6573  -22.2357
            15  C2b C    37.8707  -22.9358
            16  C2b C    39.0842  -22.2357
            17  C2c C    40.2978  -22.9358
            18  C2b C    41.5112  -22.2357
            19  C2b C    42.7248  -22.9358
            20  C2b C    43.9383  -22.2357
            21  C2c C    45.1518  -22.9358
            22  C5a C    46.3653  -22.2357
            23  C1b C    47.5788  -22.9358
            24  C1b C    48.7924  -22.2357
            25  C1a C    24.5221  -20.8355
            26  C1a C    29.3761  -20.8355
            27  C1a C    40.2978  -24.3359
            28  C1a C    45.1518  -24.3359
            29  C1z C    19.6641  -22.2322
            30  C1x C    18.4513  -22.9316
            31  C1x C    18.4507  -24.3316
            32  C1x C    19.6681  -25.0353
            33  C2y C    20.8809  -24.3358
            34  C1a C    20.6540  -21.2423
            35  C1a C    18.6742  -21.2423
            36  C1a C    22.0875  -25.0333
            37  C1a C    35.4439  -24.3598
            38  C1d C    50.0132  -22.9409
            39  O5a O    46.3649  -20.8602
            40  C1a C    51.1927  -22.2604
            41  O2a O    50.0132  -24.3409
            42  C1a C    51.3655  -23.3033
            43  C1a C    48.7676  -25.0601
BOND        43
            1     1   2 1
            2     2   3 2
            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 1
            23   23  24 1
            24    4  25 1
            25    8  26 1
            26   17  27 1
            27   21  28 1
            28    1  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33    1  33 2
            34   29  34 1
            35   29  35 1
            36   33  36 1
            37   13  37 1
            38   24  38 1
            39   22  39 2
            40   38  40 1
            41   38  41 1
            42   38  42 1
            43   41  43 1

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