RefMet Compound Details

MW structure81732 (View MW Metabolite Database details)
RefMet nameGlu-Phe-Thr
Systematic nameL-Glutamyl-L-phenylalanyl-L-threonine
SMILESC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass395.169252 (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
FormulaC18H25N3O7View other entries in RefMet with this formula
InChIInChI=1S/C18H25N3O7/c1-10(22)15(18(27)28)21-17(26)13(9-11-5-3-2-4-6-11)20-16(25)12(19)7-8-14(23)24/h2-6,10,12-13,15,22H,7-9,19H2,1
H3,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t10-,12+,13+,15+/m1/s1
InChIKeyITVBKCZZLJUUHI-HTUGSXCWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID122514755
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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