RefMet Compound Details

MW structure78832 (View MW Metabolite Database details)
RefMet nameHis-Thr
Systematic nameL-Histidyl-L-threonine
SMILESC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass256.117156 (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
FormulaC10H16N4O4View other entries in RefMet with this formula
InChIInChI=1S/C10H16N4O4/c1-5(15)8(10(17)18)14-9(16)7(11)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t5-,7-,8-/
m0/s1
InChIKeyWRPDZHJNLYNFFT-GEVIPFJHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID145453493
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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