RefMet Compound Details

RefMet IDRM0012891
MW structure78893 (View MW Metabolite Database details)
RefMet nameLys-Trp
Systematic nameL-Lysyl-L-tryptophan
SMILESc1ccc2c(c1)c(C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N)c[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass332.184841 (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
FormulaC17H24N4O3View other entries in RefMet with this formula
InChIInChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,
(H,21,22)(H,23,24)/t13-,15-/m0/s1
InChIKeyRVKIPWVMZANZLI-ZFWWWQNUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID4369395
ChEBI ID74569
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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