KEGG   COMPOUND: C08596Help
Entry
C08596                      Compound                               

Name
Fucoxanthin
Formula
C42H58O6
Exact mass
658.4233
Mol weight
658.9063
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08596  Fucoxanthin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C08596  Fucoxanthin
BRITE hierarchy
Other DBs
CAS: 3351-86-8
PubChem: 10789
ChEBI: 5186
ChEMBL: CHEMBL1575074
LIPIDMAPS: LMPR01070300
LipidBank: VCA0003
KNApSAcK: C00003773
3DMET: B05268
NIKKAJI: J221.693K
LinkDB All DBs
KCF data Show

ATOM        48
            1   C1z C    13.9620  -19.1274
            2   C1z C    13.9620  -20.5321
            3   O2x O    15.1557  -19.8250
            4   C1z C    12.7410  -18.4205
            5   C1b C    15.1557  -18.4205
            6   C1x C    12.7410  -21.2297
            7   C1a C    15.1557  -21.4397
            8   C1x C    11.5016  -19.1274
            9   C1a C    12.0248  -17.2085
            10  C1a C    13.4295  -17.2085
            11  C5a C    16.3767  -19.1180
            12  C1y C    11.5016  -20.5321
            13  C2c C    17.5794  -18.4111
            14  O5a O    16.3583  -20.5138
            15  O1a O    10.3447  -21.2207
            16  C2b C    18.7914  -19.1090
            17  C1a C    17.5610  -17.0064
            18  C2b C    20.0034  -18.4021
            19  C2b C    21.2154  -19.0997
            20  C2c C    22.4271  -18.3928
            21  C2b C    23.6391  -19.0906
            22  C1a C    22.4180  -16.9973
            23  C2b C    24.8511  -18.3928
            24  C2b C    26.0628  -19.0906
            25  C2b C    27.2657  -18.3837
            26  C2c C    28.4775  -19.0813
            27  C2b C    29.6804  -18.3744
            28  C1a C    28.4684  -20.4861
            29  C2b C    30.9014  -19.0723
            30  C2b C    32.1041  -18.3560
            31  C2c C    33.3161  -19.0629
            32  C2b C    34.5372  -18.3560
            33  C1a C    33.3068  -20.4677
            34  C0  C    35.7398  -17.6491
            35  C2y C    36.9428  -16.9422
            36  C1z C    38.1545  -17.6401
            37  C1z C    36.9428  -15.5375
            38  C1x C    39.3755  -16.9422
            39  C1a C    38.8523  -18.8518
            40  C1a C    37.4476  -18.8518
            41  C1x C    38.1545  -14.8396
            42  C1a C    36.5753  -14.1788
            43  O1a O    35.5838  -15.1703
            44  C1y C    39.3755  -15.5375
            45  O7a O    40.5969  -14.8305
            46  C7a C    41.7995  -15.5281
            47  C1a C    43.0022  -14.8305
            48  O6a O    41.7812  -16.9329
BOND        50
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     4   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1 #Up
            15   13  16 2
            16   13  17 1
            17   16  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   20  22 1
            22   21  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   26  28 1
            28   27  29 2
            29   29  30 1
            30   30  31 2
            31   31  32 1
            32   31  33 1
            33   32  34 2
            34   34  35 2
            35   35  36 1
            36   35  37 1
            37   36  38 1
            38   36  39 1
            39   36  40 1
            40   37  41 1
            41   37  42 1 #Up
            42   37  43 1 #Down
            43   38  44 1
            44   44  45 1 #Up
            45   45  46 1
            46   46  47 1
            47   46  48 2
            48    2   3 1 #Down
            49    8  12 1
            50   41  44 1

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