KEGG   COMPOUND: C08587
Entry
C08587                      Compound                               
Name
beta-Carotene 5,6-epoxide;
5,6-Epoxy-beta,beta-carotene
Formula
C40H56O
Exact mass
552.4331
Mol weight
552.87
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08587  beta-Carotene 5,6-epoxide
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C08587  beta-Carotene 5,6-epoxide
Other DBs
CAS: 1923-89-3
PubChem: 10780
ChEBI: 27793
LIPIDMAPS: LMPR01070267
KNApSAcK: C00003767
3DMET: B05267
NIKKAJI: J146.766B
KCF data

ATOM        41
            1   C1z C    15.1944  -18.0310
            2   C1z C    15.1944  -19.4402
            3   O2x O    16.4079  -18.7278
            4   C1z C    13.9809  -17.3343
            5   C2b C    16.4001  -17.3343
            6   C1x C    13.9809  -20.1447
            7   C1a C    16.4001  -20.1447
            8   C1x C    12.7597  -18.0310
            9   C1a C    14.6620  -16.0430
            10  C1a C    13.4651  -16.0421
            11  C2b C    17.6057  -18.0310
            12  C1x C    12.7597  -19.4323
            13  C2c C    18.8192  -17.3343
            14  C2b C    20.0327  -18.0310
            15  C1a C    18.8192  -15.9328
            16  C2b C    21.2382  -17.3343
            17  C2b C    22.4517  -18.0310
            18  C2c C    23.6652  -17.3343
            19  C2b C    24.8785  -18.0310
            20  C1a C    23.6652  -15.9328
            21  C2b C    26.0843  -17.3343
            22  C2b C    27.2978  -18.0310
            23  C2b C    28.5110  -17.3343
            24  C2c C    29.7245  -18.0310
            25  C2b C    30.9380  -17.3343
            26  C1a C    29.7245  -19.4323
            27  C2b C    32.1438  -18.0310
            28  C2b C    33.3571  -17.3343
            29  C2c C    34.5705  -18.0310
            30  C2b C    35.7761  -17.3343
            31  C1a C    34.5705  -19.4323
            32  C2b C    36.9896  -18.0310
            33  C2y C    38.2031  -17.3343
            34  C1z C    39.4166  -18.0310
            35  C2y C    38.2031  -15.9328
            36  C1x C    40.6301  -17.3420
            37  C1a C    40.1054  -19.2445
            38  C1a C    38.7686  -19.3153
            39  C1x C    39.4166  -15.2360
            40  C1a C    36.9896  -15.2283
            41  C1x C    40.6301  -15.9407
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     4   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12   11  13 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   18  20 1
            20   19  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   24  26 1
            26   25  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   29  31 1
            31   30  32 2
            32   32  33 1
            33   33  34 1
            34   33  35 2
            35   34  36 1
            36   34  37 1
            37   34  38 1
            38   35  39 1
            39   35  40 1
            40   36  41 1
            41    2   3 1
            42    8  12 1
            43   39  41 1

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