RefMet Compound Details

RefMet IDRM0129689
MW structure86937 (View MW Metabolite Database details)
RefMet nameVal-Pro-Arg
Systematic nameL-Valyl-L-prolyl-L-arginine
SMILESCC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass370.232854 (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
FormulaC16H30N6O4View other entries in RefMet with this formula
InChIInChI=1S/C16H30N6O4/c1-9(2)12(17)14(24)22-8-4-6-11(22)13(23)21-10(15(25)26)5-3-7-20-16(18)19/h9-12H,3-8,17H2,1-2H3,(H,21,23)(H,25,
26)(H4,18,19,20)/t10-,11-,12-/m0/s1
InChIKeyYTNGABPUXFEOGU-SRVKXCTJSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID10248593
ChEBI ID166336
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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