RefMet Compound Details

RefMet IDRM0137574
MW structure79047 (View MW Metabolite Database details)
RefMet nameVal-Lys
Systematic nameL-Valyl-L-lysine
SMILESCC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass245.173942 (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
FormulaC11H23N3O3View other entries in RefMet with this formula
InChIInChI=1S/C11H23N3O3/c1-7(2)9(13)10(15)14-8(11(16)17)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
InChIKeyJKHXYJKMNSSFFL-IUCAKERBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID168058
ChEBI ID75014
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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