EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162116 - Pro-Asn-Ile

Default Structure
ChEBI IDCHEBI:162116
ChEBI NamePro-Asn-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26N4O5
Net Charge0
Average Mass342.396
Monoisotopic Mass342.19032
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C15H26N4O5/c1-3-8(2)12(15(23)24)19-14(22)10(7-11(16)20)18-13(21)9-5-4-6-17-9/h8-10,12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKeyXWYXZPHPYKRYPA-GMOBBJLQSA-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-Asn-Ile (CHEBI:162116) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-methylpentanoic acid