RefMet Compound Details

MW structure78789 (View MW Metabolite Database details)
RefMet nameGlu-Phe
Systematic nameL-Glutamyl-L-phenylalanine
SMILESc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass294.121573 (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
FormulaC14H18N2O5View other entries in RefMet with this formula
InChIInChI=1S/C14H18N2O5/c15-10(6-7-12(17)18)13(19)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,19)(H,17,18)(H,20,21)/t10-
,11-/m0/s1
InChIKeyXMBSYZWANAQXEV-QWRGUYRKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID18653118
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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