RefMet Compound Details

RefMet IDRM0052764
MW structure78870 (View MW Metabolite Database details)
RefMet nameLeu-Pro   Species distribution   Sample source distribution
Systematic nameL-Leucyl-L-proline
SMILESCC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass228.147393 (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
FormulaC11H20N2O3View other entries in RefMet with this formula
InChIInChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyVTJUNIYRYIAIHF-IUCAKERBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID80817
ChEBI ID73580
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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