EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158764 - Ile-Ser-Tyr

Default Structure
ChEBI IDCHEBI:158764
ChEBI NameIle-Ser-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N3O6
Net Charge0
Average Mass381.429
Monoisotopic Mass381.18999
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H27N3O6/c1-3-10(2)15(19)17(25)21-14(9-22)16(24)20-13(18(26)27)8-11-4-6-12(23)7-5-11/h4-7,10,13-15,22-23H,3,8-9,19H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)/t10-,13-,14-,15-/m0/s1
InChIKeyWLRJHVNFGAOYPS-HJPIBITLSA-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)
Ile-Ser-Tyr (CHEBI:158764) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid