KEGG   COMPOUND: C01673Help
Entry
C01673                      Compound                               

Name
Calcitriol;
1-alpha-25-Dihydroxyvitamin D3
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Steroid biosynthesis
Metabolic pathways
Endocrine and other factor-regulated calcium reabsorption
Mineral absorption
Tuberculosis
Module
M00103  
Cholecalciferol biosynthesis
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Steroid hormones
   Others
    C01673  Calcitriol (Vitamin D)
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
     A11CC04 Calcitriol
      D00129  Calcitriol (JAN/USP/INN)
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AX Other antipsoriatics for topical use
     D05AX03 Calcitriol
      D00129  Calcitriol (JAN/USP/INN)
USP drug classification [BR:br08302]
 Dermatological Agents
  Calcitriol
   D00129  Calcitriol (JAN/USP/INN)
 Metabolic Bone Disease Agents
  Calcitriol
   D00129  Calcitriol (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   311  Vitamins A and D preparations
    3112  Synthetic vitamin D preparations
     D00129  Calcitriol (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    vitamin D receptor
     Calcitriol
      D00129  Calcitriol (JAN/USP/INN)
Osteoporosis drugs [br08368.html]
 D00129
Rx-to-OTC switch list in Japan [br08314.html]
 D00129
BRITE hierarchy
Other DBs
CAS: 
32222-06-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1x C    18.5200  -16.5451
            2   C1y C    18.5200  -17.9130
            3   C1x C    19.7074  -18.5969
            4   C2y C    20.8881  -17.9130
            5   C2y C    20.8881  -16.5451
            6   C1y C    19.7074  -15.8612
            7   C1x C    22.0826  -14.4589
            8   C1x C    22.0826  -15.8267
            9   C2y C    23.2700  -16.5106
            10  C1x C    23.2700  -13.7750
            11  C1z C    24.4505  -14.4589
            12  C1y C    24.4448  -15.8267
            13  C1x C    26.8138  -15.8368
            14  C1x C    26.8197  -14.4689
            15  C1y C    25.6382  -13.7801
            16  C1c C    25.6439  -12.4122
            17  C1b C    26.8217  -11.7302
            18  C1b C    28.0031  -12.4142
            19  C1b C    29.1844  -11.7370
            20  C1d C    30.3657  -12.4209
            21  C2b C    22.0904  -18.5652
            22  C1a C    24.4385  -13.0911
            23  C1a C    24.4603  -11.7265
            24  C2b C    23.2399  -17.8599
            25  O1a O    17.3358  -18.5974
            26  C2a C    20.8806  -15.1704
            27  C1a C    31.5993  -11.7107
            28  C1a C    30.3643  -13.8008
            29  O1a O    31.5732  -13.1181
            30  O1a O    19.7098  -14.4292
BOND        32
            1     2   3 1
            2    15  16 1
            3     3   4 1
            4    16  17 1
            5     7   8 1
            6    17  18 1
            7     8   9 1
            8    18  19 1
            9     9  12 1
            10   19  20 1
            11    9  24 2
            12   11  10 1
            13   24  21 1
            14   10   7 1
            15    4   5 1
            16   11  22 1 #Up
            17    5   6 1
            18   16  23 1 #Down
            19    6   1 1
            20    1   2 1
            21   11  12 1
            22   13  14 1
            23   21   4 2
            24   14  15 1
            25   15  11 1
            26    2  25 1 #Up
            27   12  13 1
            28    5  26 2
            29   20  27 1
            30   20  28 1
            31   20  29 1
            32    6  30 1 #Down

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