KEGG   COMPOUND: C12981Help
Entry
C12981                      Compound                               

Name
dl-alpha-Tocopherol nicotinate;
Tocopheryl nicotinate
Formula
C35H53NO3
Exact mass
535.4025
Mol weight
535.8002
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
Vitamin digestion and absorption
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11H OTHER PLAIN VITAMIN PREPARATIONS
    A11HA Other plain vitamin preparations
     A11HA03 Tocopherol (vit E)
      D01530  Tocopherol nicotinate (JP16)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D01530  Tocopherol nicotinate (JP16)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  34 Vitamin E based drugs
   D01530  Tocopherol nicotinate (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01530  Tocopherol nicotinate
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    D01530  Tocopherol nicotinate (JP15)
BRITE hierarchy
Other DBs
CAS: 
51898-34-1
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        39
            1   C8y C    17.7244  -30.3909
            2   C8y C    17.7244  -28.9901
            3   C8y C    18.9851  -28.2896
            4   C8y C    18.9851  -31.0913
            5   C8y C    20.1758  -30.3909
            6   C8y C    20.1758  -28.9901
            7   C1x C    21.3665  -28.2896
            8   C1x C    22.6273  -28.9901
            9   C1z C    22.6273  -30.3909
            10  O2x O    21.3665  -31.0913
            11  C1a C    18.9851  -32.4921
            12  C1a C    18.9851  -26.8888
            13  O7a O    16.5337  -28.2896
            14  C7a C    15.3430  -28.9901
            15  C8y C    14.0122  -28.2896
            16  C1b C    23.8180  -31.0913
            17  C1b C    25.0087  -30.3909
            18  C1b C    26.1994  -31.0913
            19  C1c C    27.4601  -30.3909
            20  C1b C    28.6508  -31.0913
            21  C1b C    29.8415  -30.3909
            22  C1b C    31.1023  -31.0913
            23  C1c C    32.2930  -30.3909
            24  C1b C    33.4837  -31.0913
            25  C1b C    34.7444  -30.3909
            26  C1b C    35.9351  -31.0913
            27  C1c C    37.1258  -30.3909
            28  C1a C    38.3165  -31.0913
            29  C1a C    27.4601  -28.9901
            30  C1a C    32.2930  -28.9901
            31  C1a C    37.1258  -28.9901
            32  C8x C    12.8215  -28.9901
            33  C8x C    11.6308  -28.2896
            34  C8x C    11.6308  -26.8888
            35  N5x N    12.8215  -26.1884
            36  C8x C    14.0122  -26.8888
            37  C1a C    16.5337  -31.0913
            38  O6a O    15.3430  -30.3909
            39  C1a C    22.6273  -31.7909
BOND        41
            1     7   8 1
            2    18  19 1
            3     8   9 1
            4    19  20 1
            5     9  10 1
            6    20  21 1
            7    10   5 1
            8    21  22 1
            9    22  23 1
            10    4  11 1
            11   23  24 1
            12    1  37 1
            13   24  25 1
            14    1   2 2
            15   25  26 1
            16    3  12 1
            17   26  27 1
            18    2   3 1
            19   27  28 1
            20    2  13 1
            21   19  29 1 #Down
            22    3   6 2
            23   23  30 1 #Down
            24   13  14 1
            25   27  31 1
            26    5   4 2
            27   14  15 1
            28    4   1 1
            29    9  16 1 #Up
            30    5   6 1
            31   16  17 1
            32   15  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   36  15 1
            38    6   7 1
            39   17  18 1
            40   14  38 2
            41    9  39 1

» Japanese version

DBGET integrated database retrieval system