Details of Metabolite

General Information of MET (ID: META00550)
Name Dimethyl sulfone
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(Methylsulfonyl)methane; Dimethyl sulfone; Dimethyl sulfone, 13C-labeled; Dimethyl sulphone; Dimethylsulfone; Lignisul MSM; Methyl sulfone; Methyl sulfonmethane; Methylsulfonylmethane; Methylsulphonylmethane; Opti MSM; Sulfonylbis-methane; Sulfonylbismethane; Sulphonylbismethane; Sulphonyldimethane
Source Endogenous;Drug Metabolite;Food;Cosmetic;Microbial
Structure Type   Sulfones  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organosulfur compounds
Sulfonyls
Sulfones
PubChem CID
6213
HMDB ID
HMDB0004983
Formula
C2H6O2S
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C11142
ChEBI ID
9349
FooDB ID
FDB006725
ChemSpider ID
5978
METLIN ID
7236
Physicochemical Properties Molecular Weight 94.14 Topological Polar Surface Area 42.5
XlogP -0.4 Complexity 85.3
Heavy Atom Count 5 Rotatable Bond Count N.A.
Hydrogen Bond Donor Count N.A. Hydrogen Bond Acceptor Count 2
Function
Dimethyl sulfone (DMSO2) or methylsulfonylmethane (MSM), is an organic sulfur compound belonging to a class of chemicals known as sulfones. It occurs naturally in some primitive plants and is present in small amounts in many foods and beverages. DMSO2 reflects its close chemical relationship to dimethyl sulfoxide (DMSO), which differs only in the oxidation state of the sulfur atom. DMSO2 is the primary metabolite of DMSO in humans, and it shares some of the properties of DMSO. Dimethyl sulfone is a metabolite occurring in plasma and CSF of normal human. It derives from dietary sources, from intestinal bacterial metabolism and from human endogenous methanethiol metabolism. Dimethyl sulfone can be found in Afipia.
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 Dimethyl sulfone concentration: decrease (FC = 0.58)
                      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 dimethyl sulfone 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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