KEGG   COMPOUND: C08580Help
Entry
C08580                      Compound                               

Name
Astaxanthin;
(3S,3'S)-Astaxanthin;
(3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
Formula
C40H52O4
Exact mass
596.3866
Mol weight
596.8385
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08580  Astaxanthin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C08580  Astaxanthin
BRITE hierarchy
Other DBs
CAS: 472-61-7
PubChem: 10773
ChEBI: 40968
ChEMBL: CHEMBL1255871
LIPIDMAPS: LMPR01070263
LipidBank: VCA0002
KNApSAcK: C00000918
PDB-CCD: AXT[PDBj]
3DMET: B02238
NIKKAJI: J11.883D
KCF data Show

ATOM        44
            1   C2y C    14.9372  -20.8863
            2   C1z C    13.7373  -20.1886
            3   C2y C    14.9372  -22.2905
            4   C2b C    16.1541  -20.1970
            5   C1x C    12.5119  -20.8863
            6   C1a C    13.0139  -18.9716
            7   C1a C    14.4182  -18.9716
            8   C5x C    13.7373  -22.9969
            9   C1a C    16.1541  -22.9969
            10  C2b C    17.3627  -20.8949
            11  C1y C    12.5119  -22.2905
            12  O5x O    13.7373  -24.4011
            13  C2c C    18.5710  -20.2056
            14  O1a O    11.3120  -22.9885
            15  C2b C    19.7882  -20.9033
            16  C1a C    18.5710  -18.8014
            17  C2b C    20.9881  -20.2140
            18  C2b C    22.2134  -20.9119
            19  C2c C    23.4220  -20.2226
            20  C2b C    24.6389  -20.9203
            21  C1a C    23.4304  -18.8184
            22  C2b C    25.8472  -20.2310
            23  C2b C    27.0558  -20.9290
            24  C2b C    28.2641  -20.2310
            25  C2c C    29.4810  -20.9290
            26  C2b C    30.6896  -20.2397
            27  C1a C    29.4726  -22.3330
            28  C2b C    31.9065  -20.9374
            29  C2b C    33.1234  -20.2481
            30  C2c C    34.3404  -20.9460
            31  C2b C    35.5489  -20.2567
            32  C1a C    34.3933  -22.3586
            33  C2b C    36.7572  -20.9544
            34  C2y C    37.9658  -20.2651
            35  C1z C    39.1741  -20.9630
            36  C2y C    37.9658  -18.8608
            37  C1x C    40.3910  -20.2651
            38  C1a C    39.8720  -22.1713
            39  C1a C    38.8081  -22.3159
            40  C5x C    39.1741  -18.1631
            41  C1a C    36.7572  -18.1545
            42  C1y C    40.3910  -18.8695
            43  O5x O    39.1741  -16.7589
            44  O1a O    41.6080  -18.1461
BOND        45
            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    8  12 2
            12   10  13 1
            13   11  14 1 #Up
            14   13  15 2
            15   13  16 1
            16   15  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 2
            20   19  21 1
            21   20  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   25  27 1
            27   26  28 2
            28   28  29 1
            29   29  30 2
            30   30  31 1
            31   30  32 1
            32   31  33 2
            33   33  34 1
            34   34  35 1
            35   34  36 2
            36   35  37 1
            37   35  38 1
            38   35  39 1
            39   36  40 1
            40   36  41 1
            41   37  42 1
            42   40  43 2
            43   42  44 1 #Up
            44    8  11 1
            45   40  42 1

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