EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161845 - Phe-Ser-Ile

Default Structure
ChEBI IDCHEBI:161845
ChEBI NamePhe-Ser-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N3O5
Net Charge0
Average Mass365.430
Monoisotopic Mass365.19507
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H27N3O5/c1-3-11(2)15(18(25)26)21-17(24)14(10-22)20-16(23)13(19)9-12-7-5-4-6-8-12/h4-8,11,13-15,22H,3,9-10,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t11-,13-,14-,15-/m0/s1
InChIKeyJXQVYPWVGUOIDV-MXAVVETBSA-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-Ser-Ile (CHEBI:161845) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid