EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166131 - Val-Asp-Tyr

ChEBI IDCHEBI:166131
ChEBI NameVal-Asp-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25N3O7
Net Charge0
Average Mass395.412
Monoisotopic Mass395.16925
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H25N3O7/c1-9(2)15(19)17(26)20-12(8-14(23)24)16(25)21-13(18(27)28)7-10-3-5-11(22)6-4-10/h3-6,9,12-13,15,22H,7-8,19H2,1-2H3,(H,20,26)(H,21,25)(H,23,24)(H,27,28)/t12-,13-,15-/m0/s1
InChIKeyCOSLEEOIYRPTHD-YDHLFZDLSA-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-Asp-Tyr (CHEBI:166131) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid