EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166111 - Val-Asn-Tyr

ChEBI IDCHEBI:166111
ChEBI NameVal-Asn-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N4O6
Net Charge0
Average Mass394.428
Monoisotopic Mass394.18523
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H26N4O6/c1-9(2)15(20)17(26)21-12(8-14(19)24)16(25)22-13(18(27)28)7-10-3-5-11(23)6-4-10/h3-6,9,12-13,15,23H,7-8,20H2,1-2H3,(H2,19,24)(H,21,26)(H,22,25)(H,27,28)/t12-,13-,15-/m0/s1
InChIKeyIQQYYFPCWKWUHW-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-Asn-Tyr (CHEBI:166111) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid