EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161172 - Cys-Asn-Phe

ChEBI IDCHEBI:161172
ChEBI NameCys-Asn-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N4O5S
Net Charge0
Average Mass382.442
Monoisotopic Mass382.13109
SMILESNC(=O)C[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H22N4O5S/c17-10(8-26)14(22)19-11(7-13(18)21)15(23)20-12(16(24)25)6-9-4-2-1-3-5-9/h1-5,10-12,26H,6-8,17H2,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t10-,11-,12-/m0/s1
InChIKeySFUUYRSAJPWTGO-SRVKXCTJSA-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-Asn-Phe (CHEBI:161172) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid