EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161398 - Phe-Cys-Asn

ChEBI IDCHEBI:161398
ChEBI NamePhe-Cys-Asn
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](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H22N4O5S/c17-10(6-9-4-2-1-3-5-9)14(22)20-12(8-26)15(23)19-11(16(24)25)7-13(18)21/h1-5,10-12,26H,6-8,17H2,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)/t10-,11-,12-/m0/s1
InChIKeyOMHMIXFFRPMYHB-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)
Phe-Cys-Asn (CHEBI:161398) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-sulanylpropanoyl]amino]-4-oxobutanoic acid