RefMet Compound Details

RefMet IDRM0137519
MW structure78785 (View MW Metabolite Database details)
RefMet nameGlu-Ile
Systematic nameL-Glutamyl-L-isoleucine
SMILESCC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass260.137223 (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
FormulaC11H20N2O5View other entries in RefMet with this formula
InChIInChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-10(16)7(12)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/
s1
InChIKeySNFUTDLOCQQRQD-ZKWXMUAHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID9813855
ChEBI ID141436
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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