RefMet Compound Details

RefMet IDRM0129929
MW structure78696 (View MW Metabolite Database details)
RefMet nameAsn-Ala   Species distribution   Sample source distribution
Systematic nameL-Asparaginyl-L-alanine
SMILESC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass203.090607 (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
FormulaC7H13N3O4View other entries in RefMet with this formula
InChIInChI=1S/C7H13N3O4/c1-3(7(13)14)10-6(12)4(8)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)/t3-,4-/m0/s1
InChIKeySJUXYGVRSGTPMC-IMJSIDKUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID9942455
ChEBI ID157795
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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