Details of Metabolite

General Information of MET (ID: META00955)
Name 20-Hydroxycholesterol
Synonyms   Click to Show/Hide Synonyms of This Metabolite
20-hydroxycholesterol; 20(S)-hydroxycholesterol; 20alpha-Hydroxycholesterol; (20S)-20-Hydroxycholesterol; 516-72-3; UNII-30060WAL99; cholest-5-en-3beta,20-diol; CHEBI:1296; 30060WAL99; (3alpha,8alpha)-Cholest-5-Ene-3,20-Diol; (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Cholest-5-ene-3beta,20alpha-diol; HCD; 20S-Cholest-5-ene-3beta,20-diol; (20S)-Cholest-5-ene-3beta,20-diol
Source Endogenous;Mouse metablite
Structure Type   Cholestane steroids  (Click to Show/Hide the Complete Structure Type Hierarchy)
Lipids and lipid-like molecules
Steroids and steroid derivatives
Cholestane steroids
PubChem CID
121935
Formula
C27H46O2
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 402.7 Topological Polar Surface Area 40.5
XlogP 6.9 Complexity 638
Heavy Atom Count 29 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Regulatory Network
Full List of Protein(s) Regulated by This Metabolite
      Nuclear hormone receptor (NHR)
            Nuclear receptor ROR-gamma (RORC) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation 20-Hydroxycholesterol addition (24h)
                      Induced Change RORC protein binding activity levels: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that 20-hydroxycholesterol addition causes the increase of RORC protein binding activity compared with control group.
References
1 Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma. Mol Endocrinol. 2010 May;24(5):923-9.

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