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CHEBI:164997 - Tyr-Asp-Gln

Default Structure
ChEBI IDCHEBI:164997
ChEBI NameTyr-Asp-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N4O8
Net Charge0
Average Mass424.410
Monoisotopic Mass424.15941
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H24N4O8/c19-11(7-9-1-3-10(23)4-2-9)16(27)22-13(8-15(25)26)17(28)21-12(18(29)30)5-6-14(20)24/h1-4,11-13,23H,5-8,19H2,(H2,20,24)(H,21,28)(H,22,27)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1
InChIKeyIXTQGBGHWQEEDE-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)
Tyr-Asp-Gln (CHEBI:164997) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid