RefMet Compound Details

MW structure78656 (View MW Metabolite Database details)
RefMet nameAla-Ala
Systematic nameL-Alanyl-L-alanine
SMILESC[C@@H](NC(=O)[C@@H](C)N)C(O)=O
Exact mass160.084793 (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
FormulaC6H12N2O3View other entries in RefMet with this formula
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyDEFJQIDDEAULHB-IMJSIDKUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID5484352
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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