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CHEBI:161602 - Phe-Ile-Gln

Default Structure
ChEBI IDCHEBI:161602
ChEBI NamePhe-Ile-Gln
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](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C20H30N4O5/c1-3-12(2)17(19(27)23-15(20(28)29)9-10-16(22)25)24-18(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,23,27)(H,24,26)(H,28,29)/t12-,14-,15-,17-/m0/s1
InChIKeyMIICYIIBVYQNKE-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-Ile-Gln (CHEBI:161602) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid