RefMet Compound Details

RefMet IDRM0137996
MW structure81712 (View MW Metabolite Database details)
RefMet nameGlu-Met-Thr
Systematic nameL-Glutamyl-L-methionyl-L-threonine
SMILESC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass379.141324 (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
FormulaC14H25N3O7SView other entries in RefMet with this formula
InChIInChI=1S/C14H25N3O7S/c1-7(18)11(14(23)24)17-13(22)9(5-6-25-2)16-12(21)8(15)3-4-10(19)20/h7-9,11,18H,3-6,15H2,1-2H3,(H,16,21)(H,17,
22)(H,19,20)(H,23,24)/t7-,8+,9+,11+/m1/s1
InChIKeyYHOJJFFTSMWVGR-HJGDQZAQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID145455456
ChEBI ID163128
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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