RefMet Compound Details

MW structure83683 (View MW Metabolite Database details)
RefMet nameLys-Lys-Gly
Systematic nameL-Lysyl-L-lysyl-glycine
SMILESC(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass331.221955 (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
FormulaC14H29N5O4View other entries in RefMet with this formula
InChIInChI=1S/C14H29N5O4/c15-7-3-1-5-10(17)13(22)19-11(6-2-4-8-16)14(23)18-9-12(20)21/h10-11H,1-9,15-17H2,(H,18,23)(H,19,22)(H,20,21)/t
10-,11-/m0/s1
InChIKeyYUAXTFMFMOIMAM-QWRGUYRKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID129729951
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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