RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0040467
RefMet nameIle-Met
Systematic nameL-Isoleucyl-L-methionine
SynonymsPubChem Synonyms
Exact mass262.135115 (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
FormulaC11H22N2O3SView other entries in RefMet with this formula
Molecular descriptors
Molfile78848 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H22N2O3S/c1-4-7(2)9(12)10(14)13-8(11(15)16)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1
InChIKeyTUYOFUHICRWDGA-CIUDSAMLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Distribution of Ile-Met in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Ile-Met
External Links
Pubchem CID7020106
ChEBI ID74073
HMDB IDHMDB0028913
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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