KEGG   COMPOUND: C02477
Entry
C02477                      Compound                               
Name
alpha-Tocopherol;
Vitamin E
Formula
C29H50O2
Exact mass
430.3811
Mol weight
430.7061
Structure
Reaction
Pathway
map00130  Ubiquinone and other terpenoid-quinone biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01240  Biosynthesis of cofactors
map04216  Ferroptosis
map04977  Vitamin digestion and absorption
Module
M00112  Tocopherol/tocotorienol biosynthesis, homogentisate + phytyl/geranylgeranyl-PP => tocopherol/tocotorienol
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Vitamins and cofactors
  Vitamins
   Fat-soluble vitamins
    C02477  alpha-Tocopherol (Vitamin E)
Lipids [BR:br08002]
 PR  Prenol lipids
  PR02 Quinones and hydroquinones
   PR0202 Vitamin E
    C02477  alpha-Tocopherol
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  34 Vitamin E based drugs
   C02477  alpha-Tocopherol
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Tocopherol
    C02477  alpha-Tocopherol
Other DBs
CAS: 59-02-9
PubChem: 5492
ChEBI: 18145
LIPIDMAPS: LMPR02020001
KNApSAcK: C00007366
PDB-CCD: VIV[PDBj]
3DMET: B01577
NIKKAJI: J24.260H
LinkDB
KCF data

ATOM        31
            1   C8y C     9.9205  -13.9253
            2   C8y C     9.9205  -12.5547
            3   O2x O    11.1620  -14.6505
            4   C8y C     8.7468  -14.6505
            5   C1x C    11.1620  -11.8356
            6   C8y C     8.7468  -11.8356
            7   C1z C    12.3418  -13.9253
            8   C8y C     7.5053  -13.9253
            9   C1a C     8.7468  -16.0454
            10  C1x C    12.3418  -12.5547
            11  C8y C     7.5053  -12.5547
            12  C1a C     8.7468  -10.4407
            13  C1b C    13.5956  -14.6505
            14  C1a C    12.3418  -15.3019
            15  C1a C     6.2700  -14.6505
            16  O1a O     6.2700  -11.8356
            17  C1b C    14.7878  -14.0112
            18  C1b C    16.0107  -14.7241
            19  C1c C    17.2522  -14.0850
            20  C1b C    18.4629  -14.8101
            21  C1a C    17.2952  -12.7267
            22  C1b C    19.6921  -14.0850
            23  C1b C    20.8781  -14.8101
            24  C1c C    22.1195  -14.1218
            25  C1b C    23.3178  -14.8777
            26  C1a C    22.1195  -12.7699
            27  C1b C    24.5347  -14.1956
            28  C1b C    25.7208  -14.9454
            29  C1c C    26.9500  -14.1956
            30  C1a C    26.9500  -12.8436
            31  C1a C    28.1484  -14.9454
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1 #Up
            13    7  14 1
            14    8  15 1
            15   11  16 1
            16   13  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 1 #Down
            21   20  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   24  26 1 #Down
            26   25  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   29  31 1
            31    7  10 1
            32    8  11 2

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