RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0014052
RefMet name(Dimethylsulfonio)acetate
Systematic name(dimethylsulfonio)acetate
SynonymsPubChem Synonyms
Exact mass120.024502 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H8O2SView other entries in RefMet with this formula
Molecular descriptors
Molfile50513 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3
InChIKeyPSBDWGZCVUAZQS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[S+](C)CC(=O)[O-]
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Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of (Dimethylsulfonio)acetate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting (Dimethylsulfonio)acetate
External Links
Pubchem CID160765
ChEBI ID16471
KEGG IDC03392
HMDB IDHMDB0258591
MetaCyc IDDIMETHYLSULFONIOACETATE
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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