RefMet Compound Details

RefMet IDRM0022957
MW structure81632 (View MW Metabolite Database details)
RefMet nameGlu-His-Thr
Systematic nameL-Glutamyl-L-histidyl-L-threonine
SMILESC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass385.159750 (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
FormulaC15H23N5O7View other entries in RefMet with this formula
InChIInChI=1S/C15H23N5O7/c1-7(21)12(15(26)27)20-14(25)10(4-8-5-17-6-18-8)19-13(24)9(16)2-3-11(22)23/h5-7,9-10,12,21H,2-4,16H2,1H3,(H,17
,18)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t7-,9+,10+,12+/m1/s1
InChIKeyWDTAKCUOIKHCTB-NKIYYHGXSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID145455399
ChEBI ID162973
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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