Details of Metabolite

General Information of MET (ID: META00755)
Name 4-Allylphenol sulfate
Synonyms   Click to Show/Hide Synonyms of This Metabolite
4-Allylphenol sulfate; 4-Allylphenol sulfuric acid; 4-Allylphenol sulphate; 4-Allylphenol sulphuric acid; 4-Allylphenolsulfate; 4-Allylphenolsulphate; 4-Allylphenyl hydrogen sulfate; 4-Allylphenyl hydrogen sulfuric acid; 4-Allylphenyl hydrogen sulphate; 4-Allylphenyl hydrogen sulphuric acid; Chavicol hydrogen sulfuric acid; Chavicol hydrogen sulphate; Chavicol hydrogen sulphuric acid; Chavicol sulfate; Chavicol sulfuric acid; Chavicol sulphate; Chavicol sulphuric acid; p-Allylphenyl hydrogen sulfate; p-Allylphenyl hydrogen sulfuric acid; p-Allylphenyl hydrogen sulphate; p-Allylphenyl hydrogen sulphuric acid; p-Allylphenyl sulfate; p-Allylphenyl sulfuric acid; p-Allylphenyl sulphate; p-Allylphenyl sulphuric acid
Source Aromatic homomonocyclic compounds
Structure Type   Arylsulfates  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Organic sulfuric acids and derivatives
Arylsulfates
PubChem CID
66633409
HMDB ID
HMDB0170765
Formula
C9H10O4S
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
133096
ChemSpider ID
58170353
Physicochemical Properties Molecular Weight 214.24 Topological Polar Surface Area 72
XlogP 2 Complexity 270
Heavy Atom Count 14 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Function
4-Allylphenol sulfate, also known as chavicol hydrogen sulfate or p-allylphenyl sulfate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-Allylphenol sulfate has been identified in blood.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Apolipoprotein (Apo)
            Apolipoprotein A-II (APOA2) 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 Mutation (-265T >C(rs5082)) of APOA2
                      Induced Change 4-Allylphenol sulfate concentration: decrease (FC = 0.32)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Obesity [ICD-11: 5B81]
                      Details It is reported that mutation (-265T >C(rs5082)) of APOA2 leads to the decrease of 4-allylphenol sulfate levels compared with control group.
References
1 Epigenomics and metabolomics reveal the mechanism of the APOA2-saturated fat intake interaction affecting obesity. Am J Clin Nutr. 2018 Jul 1;108(1):188-200.

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