RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0137073
RefMet nameL-Methionine (S)-S-oxide
Systematic name(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid
SynonymsPubChem Synonyms
Exact mass165.045966 (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
FormulaC5H11NO3SView other entries in RefMet with this formula
Molecular descriptors
Molfile57173 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1
InChIKeyQEFRNWWLZKMPFJ-MFXDVPHUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[S@](=O)CC[C@@H](C(=O)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of L-Methionine (S)-S-oxide in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting L-Methionine (S)-S-oxide
External Links
Pubchem CID10909908
ChEBI ID49031
KEGG IDC15999
MetaCyc IDCPD-8989
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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