KEGG   COMPOUND: C08613Help
Entry
C08613                      Compound                               

Name
Torulene
Formula
C40H54
Exact mass
534.4226
Mol weight
534.8568
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 547-23-9
PubChem: 10806
ChEBI: 9638
KNApSAcK: C00003786
3DMET: B02267
NIKKAJI: J674.606C
KCF data Show

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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