EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161287 - Cys-Gln-Phe

ChEBI IDCHEBI:161287
ChEBI NameCys-Gln-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24N4O5S
Net Charge0
Average Mass396.469
Monoisotopic Mass396.14674
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H24N4O5S/c18-11(9-27)15(23)20-12(6-7-14(19)22)16(24)21-13(17(25)26)8-10-4-2-1-3-5-10/h1-5,11-13,27H,6-9,18H2,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t11-,12-,13-/m0/s1
InChIKeySDWZYDDNSMPBRM-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-Gln-Phe (CHEBI:161287) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid