EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158684 - Ile-Phe-Trp

ChEBI IDCHEBI:158684
ChEBI NameIle-Phe-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N4O4
Net Charge0
Average Mass464.566
Monoisotopic Mass464.24236
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C26H32N4O4/c1-3-16(2)23(27)25(32)29-21(13-17-9-5-4-6-10-17)24(31)30-22(26(33)34)14-18-15-28-20-12-8-7-11-19(18)20/h4-12,15-16,21-23,28H,3,13-14,27H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)/t16-,21-,22-,23-/m0/s1
InChIKeyKLJKJVXDHVUMMZ-KKPKCPPISA-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-Phe-Trp (CHEBI:158684) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid