KEGG   COMPOUND: C13550Help
Entry
C13550                      Compound                               

Name
Cerebrosterol;
24-Hydroxycholesterol;
Cholest-5-ene-3,24-diol;
(24S)-24-Hydroxycholesterol;
(24S)-Cholest-5-ene-3beta,24-diol
Formula
C27H46O2
Exact mass
402.3498
Mol weight
402.6529
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Primary bile acid biosynthesis
Enzyme
Brite
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    liver X receptor alpha
     C13550  Cerebrosterol
    liver X receptor beta
     C13550  Cerebrosterol Agonist
BRITE hierarchy
Other DBs
CAS: 
474-73-7
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C1y C    28.8018  -18.3701
            2   C1y C    27.5879  -19.0705
            3   C1z C    28.8018  -17.0161
            4   C1x C    31.1366  -18.3701
            5   C1y C    26.4205  -18.3701
            6   C1x C    27.5879  -20.4247
            7   C1y C    29.9692  -16.3624
            8   C1x C    27.5879  -16.3624
            9   C1a C    28.7552  -15.6620
            10  C1x C    31.1366  -17.0161
            11  C1z C    25.2533  -19.0705
            12  C1x C    26.4205  -17.0161
            13  C2x C    26.4205  -21.0783
            14  C1c C    29.9692  -15.0082
            15  C2y C    25.2533  -20.4247
            16  C1x C    24.0859  -18.3701
            17  C1a C    25.2533  -17.7164
            18  C1b C    31.1832  -14.3078
            19  C1a C    28.7552  -14.3078
            20  C1x C    24.0859  -21.0783
            21  C1x C    22.9185  -19.0705
            22  C1b C    32.3505  -15.0082
            23  C1y C    22.9185  -20.4247
            24  C1c C    33.5645  -14.3078
            25  O1a O    21.7046  -21.0783
            26  C1c C    34.7786  -15.0082
            27  C1a C    35.9459  -14.3078
            28  C1a C    34.7786  -16.3624
            29  O1a O    33.5645  -12.9070
BOND        32
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 2
            31   21  23 1
            32   24  29 1 #Down

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