KEGG   COMPOUND: C08613
Entry
C08613                      Compound                               

Name
Torulene
Formula
C40H54
Exact mass
534.4226
Mol weight
534.8568
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
Enzyme
1.13.11.59      5.5.1.19
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08613  Torulene
Other DBs
CAS: 547-23-9
PubChem: 10806
ChEBI: 9638
KNApSAcK: C00003786
3DMET: B02267
NIKKAJI: J674.606C
KCF data

ATOM        40
            1   C2y C    12.8862  -33.2019
            2   C1z C    11.6739  -32.5039
            3   C2y C    12.8862  -34.6070
            4   C2b C    14.0892  -32.5039
            5   C1x C    10.4616  -33.2019
            6   C1a C    12.3626  -31.2825
            7   C1a C    10.9575  -31.2825
            8   C1x C    11.6739  -35.3048
            9   C1a C    14.0982  -35.3048
            10  C2b C    15.3015  -33.2109
            11  C1x C    10.4616  -34.6070
            12  C2c C    16.5135  -32.5132
            13  C2b C    17.7258  -33.2203
            14  C1a C    16.5135  -31.1171
            15  C2b C    18.9381  -32.5222
            16  C2b C    20.1504  -33.2293
            17  C2c C    21.3624  -32.5315
            18  C2b C    22.5657  -33.2293
            19  C1a C    21.3624  -31.1264
            20  C2b C    23.7777  -32.5406
            21  C2b C    24.9900  -33.2386
            22  C2b C    26.2023  -32.5406
            23  C2c C    27.4143  -33.2477
            24  C2b C    28.6266  -32.5499
            25  C1a C    27.4053  -34.6528
            26  C2b C    29.8389  -33.2570
            27  C2b C    31.0419  -32.5590
            28  C2c C    32.2542  -33.2661
            29  C2b C    33.4665  -32.5683
            30  C1a C    32.2542  -34.6621
            31  C2b C    34.6785  -33.2661
            32  C2b C    35.8908  -32.5683
            33  C2c C    37.1031  -33.2754
            34  C2b C    38.3061  -32.5774
            35  C1a C    37.0938  -34.6805
            36  C2b C    39.5184  -33.2844
            37  C2b C    40.7304  -32.5864
            38  C2c C    41.9427  -33.2938
            39  C1a C    43.1550  -32.5957
            40  C1a C    41.9427  -34.6896
BOND        40
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   23  25 1
            25   24  26 2
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   28  30 1
            30   29  31 2
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   33  35 1
            35   34  36 2
            36   36  37 1
            37   37  38 2
            38   38  39 1
            39   38  40 1
            40    8  11 1

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