KEGG   COMPOUND: C05443
Entry
C05443                      Compound                               

Name
Vitamin D3;
Cholecalciferol;
Calciol
Formula
C27H44O
Exact mass
384.3392
Mol weight
384.6377
Structure
Remark
Same as: D00188
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04977  Vitamin digestion and absorption
map05323  Rheumatoid arthritis
Module
M00103  Cholecalciferol biosynthesis
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Vitamins and cofactors
  Vitamins
   Fat-soluble vitamins
    C05443  Cholecalciferol (Vitamin D3)
Lipids [BR:br08002]
 ST  Sterol lipids
  ST03 Secosteroids
   ST0302 Vitamin D3 and derivatives
    C05443  Vitamin D3
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11C VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
    A11CC Vitamin D and analogues
     A11CC05 Colecalciferol
      D00188  Cholecalciferol (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  33 Vitamin D based drugs
   D00188  Cholecalciferol (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ergocalciferol or Cholecalciferol
    D00188  Cholecalciferol (JP17/USP)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Ergocalciferol
    D00188  Cholecalciferol (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D00188  Cholecalciferol (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00188  Cholecalciferol
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  962  Vitamin preparations
   9621  Vitamin A, D and preparations
    C05443  Vitamin D3
Other DBs
CAS: 67-97-0
PubChem: 7805
ChEBI: 28940
ChEMBL: CHEMBL1042 CHEMBL1365250 CHEMBL432780
LIPIDMAPS: LMST03020001
LipidBank: VVD0237
KNApSAcK: C00041217
3DMET: B01859
NIKKAJI: J2.367A
KCF data

ATOM        28
            1   C1z C    26.6024  -20.0553
            2   C1y C    26.5965  -21.4109
            3   C1y C    27.7842  -19.3832
            4   C1x C    25.4321  -19.3775
            5   C1a C    26.5909  -18.6939
            6   C2y C    25.4321  -22.0887
            7   C1x C    28.9545  -21.4224
            8   C1x C    28.9603  -20.0668
            9   C1c C    27.7842  -17.9928
            10  C1x C    24.2503  -20.0553
            11  C2b C    25.4380  -23.4502
            12  C1x C    24.2503  -21.4109
            13  C1b C    28.9430  -17.3267
            14  C1a C    26.5850  -17.3498
            15  C2b C    24.2561  -24.1338
            16  C1b C    30.1247  -17.9987
            17  C1b C    31.2951  -17.3092
            18  C1c C    32.4768  -17.9755
            19  C1a C    33.6472  -17.2860
            20  C1a C    32.4884  -19.3369
            21  C2y C    24.2561  -25.5338
            22  C1x C    23.0626  -26.2234
            23  C1y C    23.0631  -27.6234
            24  C1x C    24.2757  -28.3230
            25  C1x C    25.4692  -27.6334
            26  C2y C    25.4688  -26.2334
            27  C2a C    26.6812  -25.5334
            28  O1a O    21.8506  -28.3234
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    6  11 2
            11    6  12 1
            12    9  13 1
            13    9  14 1 #Down
            14   11  15 1
            15   13  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1
            20    7   8 1
            21   10  12 1
            22   15  21 2
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   21  26 1
            29   26  27 2
            30   23  28 1 #Down

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