RefMet Compound Details

MW structure78913 (View MW Metabolite Database details)
RefMet nameMet-Trp
Systematic nameL-Methionyl-L-tryptophan
SMILESCSCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass335.130364 (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
FormulaC16H21N3O3SView other entries in RefMet with this formula
InChIInChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,
21,22)/t12-,14-/m0/s1
InChIKeyXYVRXLDSCKEYES-JSGCOSHPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID3080870
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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