RefMet Compound Details

RefMet IDRM0046424
MW structure78670 (View MW Metabolite Database details)
RefMet nameAla-Pro   Species distribution   Sample source distribution
Systematic nameL-Alanyl-L-proline
SMILESC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass186.100443 (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
FormulaC8H14N2O3View other entries in RefMet with this formula
InChIInChI=1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
InChIKeyWPWUFUBLGADILS-WDSKDSINSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID83525
ChEBI ID73393
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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