RefMet Compound Details

MW structure81615 (View MW Metabolite Database details)
RefMet nameGlu-Gly-Val
Systematic nameL-Glutamyl-glycyl-L-valine
SMILESCC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass303.143037 (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
FormulaC12H21N3O6View other entries in RefMet with this formula
InChIInChI=1S/C12H21N3O6/c1-6(2)10(12(20)21)15-8(16)5-14-11(19)7(13)3-4-9(17)18/h6-7,10H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,2
0,21)/t7-,10-/m0/s1
InChIKeyHILMIYALTUQTRC-XVKPBYJWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID102073590
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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