RefMet Compound Details

MW structure41513 (View MW Metabolite Database details)
RefMet namegamma-Glutamyltyrosine
Systematic name(2S)-2-amino-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
SMILESc1cc(ccc1C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass310.116488 (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
FormulaC14H18N2O6View other entries in RefMet with this formula
InChIInChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22
)/t10-,11-/m0/s1
InChIKeyVVLXCWVSSLFQDS-QWRGUYRKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID94340
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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