EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166171 - Val-Gln-Tyr

ChEBI IDCHEBI:166171
ChEBI NameVal-Gln-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28N4O6
Net Charge0
Average Mass408.455
Monoisotopic Mass408.20088
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C19H28N4O6/c1-10(2)16(21)18(27)22-13(7-8-15(20)25)17(26)23-14(19(28)29)9-11-3-5-12(24)6-4-11/h3-6,10,13-14,16,24H,7-9,21H2,1-2H3,(H2,20,25)(H,22,27)(H,23,26)(H,28,29)/t13-,14-,16-/m0/s1
InChIKeyAAOPYWQQBXHINJ-DZKIICNBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Val-Gln-Tyr (CHEBI:166171) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid