KEGG   COMPOUND: C06957Help
Entry
C06957                      Compound                               

Name
Dihydrotachysterol
Formula
C28H46O
Exact mass
398.3549
Mol weight
398.6642
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST03 Secosteroids
   ST0301 Vitamin D2 and derivatives
    C06957  Dihydrotachysterol
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
     A11CC02 Dihydrotachysterol
      D00299  Dihydrotachysterol (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    vitamin D receptor
     Dihydrotachysterol
      D00299  Dihydrotachysterol (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
67-96-9
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C1z C    27.7751  -16.4819
            2   C1y C    27.7695  -17.8348
            3   C1y C    28.9416  -15.8112
            4   C1x C    26.5974  -15.8112
            5   C2y C    26.6031  -18.5053
            6   C1x C    30.1078  -17.8406
            7   C1x C    30.1138  -16.4876
            8   C1c C    28.8774  -14.4582
            9   C1x C    25.4251  -16.4876
            10  C2b C    26.6031  -19.8700
            11  C1x C    25.4309  -17.8406
            12  C2b C    30.1195  -13.7877
            13  C2b C    25.4309  -20.5465
            14  C2b C    31.2916  -14.4642
            15  C1c C    32.4697  -13.7935
            16  C1c C    32.4697  -12.4347
            17  C1a C    33.6476  -11.7583
            18  C1a C    31.3032  -11.7524
            19  C1a C    27.7751  -15.0863
            20  C1a C    27.7619  -13.7669
            21  C1a C    33.6869  -14.5009
            22  C2y C    25.4309  -21.9374
            23  C1y C    24.2308  -22.6302
            24  C1x C    24.2307  -24.0212
            25  C1x C    25.4353  -24.7168
            26  C1y C    26.6355  -24.0239
            27  C1x C    26.6356  -22.6330
            28  C1a C    23.0136  -21.9270
            29  O1a O    27.8441  -24.7217
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    8  12 1
            12   10  13 1
            13   12  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 1
            18    6   7 1
            19    9  11 1
            20    1  19 1 #Up
            21    8  20 1 #Down
            22   15  21 1 #Up
            23   13  22 2
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  27 1
            30   23  28 1 #Down
            31   26  29 1 #Up

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