RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0039061
RefMet nameIle-Pro
Systematic nameL-Isoleucyl-L-proline
SynonymsPubChem Synonyms
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
Molecular descriptors
Molfile78850 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7-,8-,9-/m0/s1
InChIKeyBBIXOODYWPFNDT-CIUDSAMLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=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-Pro in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Ile-Pro
External Links
Pubchem CID444876
ChEBI ID74076
HMDB IDHMDB0011174
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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