EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158152 - Ile-Ala-Phe

ChEBI IDCHEBI:158152
ChEBI NameIle-Ala-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N3O4
Net Charge0
Average Mass349.431
Monoisotopic Mass349.20016
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H27N3O4/c1-4-11(2)15(19)17(23)20-12(3)16(22)21-14(18(24)25)10-13-8-6-5-7-9-13/h5-9,11-12,14-15H,4,10,19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/t11-,12-,14-,15-/m0/s1
InChIKeyDPTBVFUDCPINIP-JURCDPSOSA-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-Ala-Phe (CHEBI:158152) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid