RefMet Compound Details

MW structure83611 (View MW Metabolite Database details)
RefMet nameLys-Gly-Ser
Systematic nameL-Lysyl-glycyl-L-serine
SMILESC(CCN)C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass290.159021 (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
FormulaC11H22N4O5View other entries in RefMet with this formula
InChIInChI=1S/C11H22N4O5/c12-4-2-1-3-7(13)10(18)14-5-9(17)15-8(6-16)11(19)20/h7-8,16H,1-6,12-13H2,(H,14,18)(H,15,17)(H,19,20)/t7-,8-/m0
/s1
InChIKeyFHIAJWBDZVHLAH-YUMQZZPRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID46945634
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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