RefMet Compound Details

MW structure84174 (View MW Metabolite Database details)
RefMet nameMet-Ser-Tyr
Systematic nameL-Methionyl-L-seryl-L-tyrosine
SMILESCSCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass399.146409 (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
FormulaC17H25N3O6SView other entries in RefMet with this formula
InChIInChI=1S/C17H25N3O6S/c1-27-7-6-12(18)15(23)20-14(9-21)16(24)19-13(17(25)26)8-10-2-4-11(22)5-3-10/h2-5,12-14,21-22H,6-9,18H2,1H3,(H
,19,24)(H,20,23)(H,25,26)/t12-,13-,14-/m0/s1
InChIKeySOAYQFDWEIWPPR-IHRRRGAJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID145457065
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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