KEGG   COMPOUND: C02059Help
Entry
C02059                      Compound                               

Name
Phylloquinone;
Vitamin K1;
Phytonadione;
2-Methyl-3-phytyl-1,4-naphthoquinone
Formula
C31H46O2
Exact mass
450.3498
Mol weight
450.6957
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Vitamin digestion and absorption
Enzyme
1.1.4.1         1.6.5.2         1.14.13.194     1.14.99.20      
2.1.1.163
Brite
Compounds with biological roles [BR:br08001]
 Cofactors
  Vitamins
   Fat-soluble vitamins
    C02059  Phylloquinone (Vitamin K1)
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR02 Quinones and hydroquinones
   PR0203 Vitamin K
    C02059  Phylloquinone (Vitamin K1)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B02 ANTIHEMORRHAGICS
   B02B VITAMIN K AND OTHER HEMOSTATICS
    B02BA Vitamin K
     B02BA01 Phytomenadione
      D00148  Phytonadione (JP16/USP); Phytomenadione (INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   316  Vitamin K preparations
    3160  Vitamin K preparations
     D00148  Phytonadione (JP16/USP); Phytomenadione (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Phytonadione
    D00148  Phytonadione (JP16/USP); Phytomenadione (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Phylloquinone
    C02059  Phylloquinone
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00148  Phytonadione
BRITE hierarchy
Other DBs
CAS: 
84-80-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C8y C    15.9600  -15.1200
            2   C8y C    15.9600  -16.5200
            3   C5x C    17.2200  -14.4200
            4   C8x C    14.7700  -14.4200
            5   C5x C    17.1500  -17.2900
            6   C8x C    14.7700  -17.2200
            7   C2y C    18.4100  -15.1200
            8   O5x O    17.2200  -13.0200
            9   C8x C    13.5100  -15.1200
            10  C2y C    18.4100  -16.5900
            11  O5x O    17.1500  -18.6900
            12  C8x C    13.5100  -16.5200
            13  C1b C    19.6000  -14.4200
            14  C1a C    19.6000  -17.2900
            15  C2b C    20.8600  -15.1200
            16  C2c C    22.0500  -14.4200
            17  C1b C    23.2400  -15.1200
            18  C1a C    22.0500  -13.0900
            19  C1b C    24.4300  -14.4200
            20  C1b C    25.6900  -15.1200
            21  C1c C    26.8800  -14.4900
            22  C1b C    28.0700  -15.1900
            23  C1a C    26.8800  -13.0900
            24  C1b C    29.3300  -14.4900
            25  C1b C    30.5200  -15.1900
            26  C1c C    31.7100  -14.4900
            27  C1b C    32.9000  -15.1900
            28  C1a C    31.7100  -13.0900
            29  C1b C    34.1600  -14.4900
            30  C1b C    35.3500  -15.1900
            31  C1c C    36.5400  -14.4900
            32  C1a C    37.8000  -15.1900
            33  C1a C    36.5400  -13.0900
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13   10  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 1
            33    7  10 2
            34    9  12 1

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