EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165944 - Tyr-Pro-Ile

ChEBI IDCHEBI:165944
ChEBI NameTyr-Pro-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29N3O5
Net Charge0
Average Mass391.468
Monoisotopic Mass391.21072
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C20H29N3O5/c1-3-12(2)17(20(27)28)22-18(25)16-5-4-10-23(16)19(26)15(21)11-13-6-8-14(24)9-7-13/h6-9,12,15-17,24H,3-5,10-11,21H2,1-2H3,(H,22,25)(H,27,28)/t12-,15-,16-,17-/m0/s1
InChIKeySOEGLGLDSUHWTI-STECZYCISA-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)
Tyr-Pro-Ile (CHEBI:165944) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
9501726ChemSpider