RefMet Compound Details

RefMet IDRM0043137
MW structure43293 (View MW Metabolite Database details)
RefMet nameMimosine
Systematic name(2S)-2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid
SMILESc1cn(C[C@@H](C(=O)O)N)cc(c1=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass198.064058 (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
FormulaC8H10N2O4View other entries in RefMet with this formula
InChIInChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
InChIKeyWZNJWVWKTVETCG-YFKPBYRVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID440473
ChEBI ID29063
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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