RefMet Compound Details

MW structure78682 (View MW Metabolite Database details)
RefMet nameArg-Glu
Systematic nameL-Arginyl-L-glutamic acid
SMILESC(C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)CNC(=N)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass303.154270 (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
FormulaC11H21N5O5View other entries in RefMet with this formula
InChIInChI=1S/C11H21N5O5/c12-6(2-1-5-15-11(13)14)9(19)16-7(10(20)21)3-4-8(17)18/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)
/t6-,7-/m0/s1
InChIKeyHFKJBCPRWWGPEY-BQBZGAKWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID6995004
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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