Details of Metabolite

General Information of MET (ID: META01463)
Name Alpha/omega muricholic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Muricholate; (3alpha,5beta)-3,6,7-Trihydroxy-cholan-24-Oate; (3alpha,5beta)-3,6,7-Trihydroxy-cholan-24-Oic acid; 3,6,7-Trihydroxy-5-cholanoate; 3,6,7-Trihydroxy-5-cholanoic acid; 3alpha,6alpha,7beta-Trihydroxy-5beta-cholanoate; 3alpha,6alpha,7beta-Trihydroxy-5beta-cholanoic acid; Hyocholic acid; Trihydroxy-5alpha-cholanoate; Trihydroxy-5alpha-cholanoic acid; 3 alpha,6 alpha,7 beta-Trihydroxy-5 beta-cholanoic acid; alpha-Muricholic acid; beta-Muricholic acid; Muricholic acid, (3alpha,5alpha,6alpha,7alpha)-isomer; Muricholic acid, (3alpha,5beta,6alpha,7alpha)-isomer; Muricholic acid, (3alpha,5beta,6alpha,7beta)-isomer; Muricholic acid, (3alpha,5beta,6beta,7alpha)-isomer; Muricholic acid, (3alpha,5beta,6beta,7beta)-isomer; Muricholic acid, sodium salt; Omega-muricholic acid; Trihydroxy-5 alpha-cholanoic acid; Muricholic acid; Digestion; Extracellular region; Liver tissue; Cellular membrane; Cytoplasma; Gall bladder; Kidneys; Fauna; Lipid metabolic process; Signal transduction; Surface-active agent; Membrane stability agent; Membrane integrity agent; Signalling molecule; Signaling agent; Cell signaling agent
Source Aliphatic homopolycyclic compounds
Structure Type   Bile acids, alcohols and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Lipids and lipid-like molecules
Steroids and steroid derivatives
Bile acids, alcohols and derivatives
PubChem CID
119473
HMDB ID
HMDB0000865
Formula
C24H40O5
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=119473"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
134216
ChemSpider ID
106701
METLIN ID
5826
Physicochemical Properties Molecular Weight 408.6 Topological Polar Surface Area 98
XlogP 3.9 Complexity 637
Heavy Atom Count 29 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Nuclear hormone receptor (NHR)
            PPAR-alpha (PPARA) 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 Knockout of Ppara
                      Induced Change Alpha/omega muricholic acid concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that knockout of Ppara leads to the increase of alpha/omega muricholic acid levels compared with control group.
References
1 Targeted Metabolomics Reveals a Protective Role for Basal PPAR in Cholestasis Induced by -Naphthylisothiocyanate. J Proteome Res. 2018 Apr 6;17(4):1500-1508.

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