RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0012554
RefMet nameN-Methylalanine
Systematic name(2S)-2-(methylamino)propanoic acid
SynonymsPubChem Synonyms
Exact mass103.063329 (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
FormulaC4H9NO2View other entries in RefMet with this formula
Molecular descriptors
Molfile49945 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1
InChIKeyGDFAOVXKHJXLEI-VKHMYHEASA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@@H](C(=O)O)NC
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 N-Methylalanine 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 N-Methylalanine
External Links
Pubchem CID5288725
ChEBI ID17519
KEGG IDC02721
HMDB IDHMDB0094692
MetaCyc IDCPD-298
Spectral data for N-Methylalanine standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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