EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158234 - Ile-Asn-Phe

ChEBI IDCHEBI:158234
ChEBI NameIle-Asn-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28N4O5
Net Charge0
Average Mass392.456
Monoisotopic Mass392.20597
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H28N4O5/c1-3-11(2)16(21)18(26)22-13(10-15(20)24)17(25)23-14(19(27)28)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,21H2,1-2H3,(H2,20,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,16-/m0/s1
InChIKeyZZHGKECPZXPXJF-PCBIJLKTSA-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-Asn-Phe (CHEBI:158234) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
17349558ChemSpider