RefMet Compound Details

RefMet IDRM0043382
MW structure81602 (View MW Metabolite Database details)
RefMet nameGlu-Gly-Glu
Systematic nameL-Glutamyl-glycyl-L-glutamic acid
SMILESC(CC(=O)O)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass333.117217 (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
FormulaC12H19N3O8View other entries in RefMet with this formula
InChIInChI=1S/C12H19N3O8/c13-6(1-3-9(17)18)11(21)14-5-8(16)15-7(12(22)23)2-4-10(19)20/h6-7H,1-5,13H2,(H,14,21)(H,15,16)(H,17,18)(H,19,2
0)(H,22,23)/t6-,7-/m0/s1
InChIKeyOGNJZUXUTPQVBR-BQBZGAKWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID102228786
ChEBI ID162918
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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