KEGG   COMPOUND: C08591
Entry
C08591                      Compound                               
Name
beta-Cryptoxanthin
Formula
C40H56O
Exact mass
552.4331
Mol weight
552.872
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Module
M00372  Abscisic acid biosynthesis, beta-carotene => abscisic acid
Enzyme
1.14.13.-       1.14.15.24      1.14.99.63      1.14.99.64      
1.14.-.-
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08591  beta-Cryptoxanthin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C08591  beta-Cryptoxanthin
Other DBs
CAS: 472-70-8
PubChem: 10784
ChEBI: 10362
LIPIDMAPS: LMPR01070269
KNApSAcK: C00000920
PDB-CCD: RRX[PDBj]
3DMET: B02248
NIKKAJI: J5.952H
KCF data

ATOM        41
            1   C2y C    15.5934  -20.9033
            2   C1z C    14.3838  -20.2004
            3   C2y C    15.5934  -22.3009
            4   C2b C    16.8027  -20.2087
            5   C1x C    13.1661  -20.9033
            6   C1a C    15.0703  -18.9830
            7   C1a C    13.6728  -18.9830
            8   C1x C    14.3838  -23.0119
            9   C1a C    16.8108  -23.0119
            10  C2b C    18.0121  -20.9114
            11  C1y C    13.1661  -22.3009
            12  C2c C    19.2217  -20.2168
            13  O1a O    11.9485  -23.0036
            14  C2b C    20.4394  -20.9114
            15  C1a C    19.2298  -18.8112
            16  C2b C    21.6487  -20.2251
            17  C2b C    22.8583  -20.9197
            18  C2c C    24.0677  -20.2331
            19  C2b C    25.2854  -20.9278
            20  C1a C    24.0760  -18.8275
            21  C2b C    26.4950  -20.2414
            22  C2b C    27.7043  -20.9360
            23  C2b C    28.9220  -20.2495
            24  C2c C    30.1313  -20.9441
            25  C2b C    31.3409  -20.2495
            26  C1a C    30.1313  -22.3497
            27  C2b C    32.5503  -20.9524
            28  C2b C    33.7599  -20.2578
            29  C2c C    34.9776  -20.9605
            30  C2b C    36.1869  -20.2658
            31  C1a C    34.9693  -22.3580
            32  C2b C    37.4046  -20.9688
            33  C2y C    38.6139  -20.2741
            34  C1z C    39.8236  -20.9688
            35  C2y C    38.6139  -18.8766
            36  C1x C    41.0412  -20.2741
            37  C1a C    39.4557  -22.3253
            38  C1a C    40.5182  -22.1864
            39  C1x C    39.8316  -18.1739
            40  C1a C    37.3965  -18.1656
            41  C1x C    41.0412  -18.8766
BOND        42
            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   11  13 1 #Up
            13   12  14 2
            14   12  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    8  11 1
            42   39  41 1

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