Details of Metabolite

General Information of MET (ID: META00956)
Name 22-Alpha-Hydroxycholesterol
Synonyms   Click to Show/Hide Synonyms of This Metabolite
22348-64-7; 22; A-Hydroxy Cholesterol; 22-alpha-hydroxycholesterol; 22(S)-Hydroxy cholesterol; SCHEMBL200655; 5-Cholesten-3beta,22(S)-diol; 5-Cholestene-3beta,22(S)-diol; MFCD00010476; (8S,9S,10R,13S,14S,17R)-17-((2S,3R)-3-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Source Endogenous;Yeast Metabolite;Sterol lipids;Food;Toxins/Pollutant;Cosmetic;TCM Ingredients;Microbial
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
22085362
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 7 Complexity 624
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 22-Alpha-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 22-alpha-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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