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CHEBI:162675 - Pro-Thr-Ile

Default Structure
ChEBI IDCHEBI:162675
ChEBI NamePro-Thr-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H27N3O5
Net Charge0
Average Mass329.397
Monoisotopic Mass329.19507
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)O
InChIInChI=1S/C15H27N3O5/c1-4-8(2)11(15(22)23)17-14(21)12(9(3)19)18-13(20)10-6-5-7-16-10/h8-12,16,19H,4-7H2,1-3H3,(H,17,21)(H,18,20)(H,22,23)/t8-,9+,10-,11-,12-/m0/s1
InChIKeyCHYAYDLYYIJCKY-OSUNSFLBSA-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)
Pro-Thr-Ile (CHEBI:162675) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-methylpentanoic acid