KEGG   COMPOUND: C05443Help
Entry
C05443                      Compound                               

Name
Vitamin D3;
Cholecalciferol;
Calciol
Formula
C27H44O
Exact mass
384.3392
Mol weight
384.6377
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Steroid biosynthesis
Metabolic pathways
Vitamin digestion and absorption
Rheumatoid arthritis
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 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
BRITE hierarchy
Other DBs
CAS: 
67-97-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

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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