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CHEBI:161452 - Phe-Gln-Ile

ChEBI IDCHEBI:161452
ChEBI NamePhe-Gln-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N4O5
Net Charge0
Average Mass406.483
Monoisotopic Mass406.22162
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H30N4O5/c1-3-12(2)17(20(28)29)24-19(27)15(9-10-16(22)25)23-18(26)14(21)11-13-7-5-4-6-8-13/h4-8,12,14-15,17H,3,9-11,21H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27)(H,28,29)/t12-,14-,15-,17-/m0/s1
InChIKeyRJYBHZVWJPUSLB-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)
Phe-Gln-Ile (CHEBI:161452) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid