RefMet Compound Details

MW structure78865 (View MW Metabolite Database details)
RefMet nameLeu-Ile
Systematic nameL-Leucyl-L-isoleucine
SMILESCC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass244.178693 (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
FormulaC12H24N2O3View other entries in RefMet with this formula
InChIInChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9-,10-/m0/s1
InChIKeyAZLASBBHHSLQDB-GUBZILKMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7010534
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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