EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:162475 - Pro-Lys-Ile

ChEBI IDCHEBI:162475
ChEBI NamePro-Lys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H32N4O4
Net Charge0
Average Mass356.467
Monoisotopic Mass356.24236
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C17H32N4O4/c1-3-11(2)14(17(24)25)21-16(23)13(7-4-5-9-18)20-15(22)12-8-6-10-19-12/h11-14,19H,3-10,18H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t11-,12-,13-,14-/m0/s1
InChIKeyVWHJZETTZDAGOM-XUXIUFHCSA-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-Lys-Ile (CHEBI:162475) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylpentanoic acid