EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158460 - Ala-Pro-Ile

ChEBI IDCHEBI:158460
ChEBI NameAla-Pro-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O4
Net Charge0
Average Mass299.371
Monoisotopic Mass299.18451
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-8(2)11(14(20)21)16-12(18)10-6-5-7-17(10)13(19)9(3)15/h8-11H,4-7,15H2,1-3H3,(H,16,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyWQLDNOCHHRISMS-NAKRPEOUSA-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)
Ala-Pro-Ile (CHEBI:158460) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid