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CHEBI:162037 - Pro-Ala-Ile

ChEBI IDCHEBI:162037
ChEBI NamePro-Ala-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](C)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-8(2)11(14(20)21)17-12(18)9(3)16-13(19)10-6-5-7-15-10/h8-11,15H,4-7H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyFZHBZMDRDASUHN-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)
Pro-Ala-Ile (CHEBI:162037) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid