RefMet Compound Details

RefMet IDRM0131744
MW structure78838 (View MW Metabolite Database details)
RefMet nameIle-Asn
Systematic nameL-Isoleucyl-L-asparagine
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass245.137557 (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
FormulaC10H19N3O4View other entries in RefMet with this formula
InChIInChI=1S/C10H19N3O4/c1-3-5(2)8(12)9(15)13-6(10(16)17)4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t5-,6-,8-/m0/s1
InChIKeyHZYHBDVRCBDJJV-HAFWLYHUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7016080
ChEBI ID74063
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo