RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0002472
RefMet nameGonyol
Systematic name(3S)-5-dimethylsulfonio-3-hydroxypentanoate
SynonymsPubChem Synonyms
Exact mass178.066365 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC7H14O3SView other entries in RefMet with this formula
Molecular descriptors
Molfile172671 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyBGFHLXJVANJCHK-ZCFIWIBFSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[S+](C)CC[C@H](CC(=O)[O-])O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassHydroxy acids
Sub ClassBeta hydroxy acids
Distribution of Gonyol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Gonyol
External Links
Pubchem CID21773821
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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