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CHEBI:158356 - Ile-Gln-Phe

ChEBI IDCHEBI:158356
ChEBI NameIle-Gln-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N4O5
Net Charge0
Average Mass406.483
Monoisotopic Mass406.22162
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H30N4O5/c1-3-12(2)17(22)19(27)23-14(9-10-16(21)25)18(26)24-15(20(28)29)11-13-7-5-4-6-8-13/h4-8,12,14-15,17H,3,9-11,22H2,1-2H3,(H2,21,25)(H,23,27)(H,24,26)(H,28,29)/t12-,14-,15-,17-/m0/s1
InChIKeyBALLIXFZYSECCF-QEWYBTABSA-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-Gln-Phe (CHEBI:158356) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid