RefMet Compound Details

RefMet IDRM0128553
MW structure87035 (View MW Metabolite Database details)
RefMet nameVal-Tyr-Val
Systematic nameL-Valyl-L-tyrosyl-L-valine
SMILESCC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass379.210722 (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
FormulaC19H29N3O5View other entries in RefMet with this formula
InChIInChI=1S/C19H29N3O5/c1-10(2)15(20)18(25)21-14(9-12-5-7-13(23)8-6-12)17(24)22-16(11(3)4)19(26)27/h5-8,10-11,14-16,23H,9,20H2,1-4H3,
(H,21,25)(H,22,24)(H,26,27)/t14-,15-,16-/m0/s1
InChIKeyZNGPROMGGGFOAA-JYJNAYRXSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Pubchem CID7015710
ChEBI ID75022
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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