KEGG   COMPOUND: C15610
Entry
C15610                      Compound                               

Name
Cholest-5-ene-3beta,26-diol;
Cholest-5-ene-3beta,27-diol;
26-Hydroxycholesterol;
27-Hydroxycholesterol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Reaction
Pathway
map00120  Primary bile acid biosynthesis
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map04979  Cholesterol metabolism
Enzyme
1.14.14.23      1.14.14.29      1.14.15.15
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C15610  27-Hydroxycholesterol
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    liver X receptor alpha
     C15610  Cholest-5-ene-3beta,26-diol
    liver X receptor beta
     C15610  Cholest-5-ene-3beta,26-diol
Other DBs
CAS: 13095-61-9
PubChem: 17396601
ChEBI: 17703
ChEMBL: CHEMBL162044 CHEMBL3217768 CHEMBL353882
NIKKAJI: J533.768B
KCF data

ATOM        29
            1   C1y C    25.6637  -17.5586
            2   C1y C    24.4897  -18.2361
            3   C1z C    25.6637  -16.2035
            4   C1x C    28.0118  -17.5586
            5   C1y C    23.3214  -17.5586
            6   C1x C    24.4838  -19.5912
            7   C1y C    26.8495  -15.5259
            8   C1x C    24.4897  -15.5259
            9   C1a C    25.6578  -14.8484
            10  C1x C    28.0118  -16.2035
            11  C1z C    22.1357  -18.2361
            12  C1x C    23.3214  -16.2035
            13  C2x C    23.3214  -20.2687
            14  C1c C    26.8495  -14.1707
            15  C2y C    22.1357  -19.5912
            16  C1x C    20.9675  -17.5586
            17  C1a C    22.1240  -16.8810
            18  C1b C    28.0469  -13.4815
            19  C1a C    25.6461  -13.4757
            20  C1x C    20.9675  -20.2687
            21  C1x C    19.7936  -18.2361
            22  C1b C    29.2444  -14.1765
            23  C1y C    19.7936  -19.5912
            24  C1b C    30.4417  -13.4815
            25  O1a O    18.6079  -20.2687
            26  C1c C    31.6449  -14.1765
            27  C1b C    32.8423  -13.4872
            28  C1a C    31.6391  -15.5610
            29  O1a O    34.0543  -14.1890
BOND        32
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     3   9 1 #Up
            7     4  10 1
            8     5  11 1
            9     5  12 1
            10    6  13 1
            11    7  14 1
            12   11  15 1
            13   11  16 1
            14   11  17 1 #Up
            15   14  18 1
            16   14  19 1 #Down
            17   15  20 1
            18   16  21 1
            19   18  22 1
            20   20  23 1
            21   22  24 1
            22   23  25 1 #Up
            23   24  26 1
            24   26  27 1
            25   26  28 1
            26    7  10 1
            27    8  12 1
            28   13  15 2
            29   21  23 1
            30    1   2 1
            31    1   3 1
            32   27  29 1

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