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CHEBI:158660 - Ile-Phe-Gln

ChEBI IDCHEBI:158660
ChEBI NameIle-Phe-Gln
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](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C20H30N4O5/c1-3-12(2)17(22)19(27)24-15(11-13-7-5-4-6-8-13)18(26)23-14(20(28)29)9-10-16(21)25/h4-8,12,14-15,17H,3,9-11,22H2,1-2H3,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t12-,14-,15-,17-/m0/s1
InChIKeyVOCZPDONPURUHV-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-Phe-Gln (CHEBI:158660) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid