RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0052680
RefMet nameMethyl tyrosinate
Systematic namemethyl L-tyrosinate
SynonymsPubChem Synonyms
Exact mass195.089544 (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
FormulaC10H13NO3View other entries in RefMet with this formula
Molecular descriptors
Molfile50819 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
InChIKeyMWZPENIJLUWBSY-VIFPVBQESA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOC(=O)[C@H](Cc1ccc(cc1)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acid esters
Distribution of Methyl tyrosinate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Methyl tyrosinate
External Links
Pubchem CID70652
ChEBI ID17215
KEGG IDC03404
HMDB IDHMDB0029217
MetaCyc IDL-TYROSINE-METHYL-ESTER
Spectral data for Methyl tyrosinate 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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