EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162577 - Gln-Tyr-Asn

ChEBI IDCHEBI:162577
ChEBI NameGln-Tyr-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25N5O7
Net Charge0
Average Mass423.426
Monoisotopic Mass423.17540
SMILESNC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C18H25N5O7/c19-11(5-6-14(20)25)16(27)22-12(7-9-1-3-10(24)4-2-9)17(28)23-13(18(29)30)8-15(21)26/h1-4,11-13,24H,5-8,19H2,(H2,20,25)(H2,21,26)(H,22,27)(H,23,28)(H,29,30)/t11-,12-,13-/m0/s1
InChIKeyWPJDPEOQUIXXOY-AVGNSLFASA-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)
Gln-Tyr-Asn (CHEBI:162577) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid