RefMet Compound Details

MW structure79204 (View MW Metabolite Database details)
RefMet nameAla-Gly-His
Systematic nameL-Alanyl-glycyl-L-histidine
SMILESC[C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass283.128055 (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
FormulaC11H17N5O4View other entries in RefMet with this formula
InChIInChI=1S/C11H17N5O4/c1-6(12)10(18)14-4-9(17)16-8(11(19)20)2-7-3-13-5-15-7/h3,5-6,8H,2,4,12H2,1H3,(H,13,15)(H,14,18)(H,16,17)(H,19,
20)/t6-,8-/m0/s1
InChIKeyBTBUEVAGZCKULD-XPUUQOCRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID71464564
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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