EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161790 - Cys-Tyr-Gln

ChEBI IDCHEBI:161790
ChEBI NameCys-Tyr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24N4O6S
Net Charge0
Average Mass412.468
Monoisotopic Mass412.14166
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C17H24N4O6S/c18-11(8-28)15(24)21-13(7-9-1-3-10(22)4-2-9)16(25)20-12(17(26)27)5-6-14(19)23/h1-4,11-13,22,28H,5-8,18H2,(H2,19,23)(H,20,25)(H,21,24)(H,26,27)/t11-,12-,13-/m0/s1
InChIKeyIRDBEBCCTCNXGZ-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)
Cys-Tyr-Gln (CHEBI:161790) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid