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CHEBI:162415 - Pro-Ile-Val

Default Structure
ChEBI IDCHEBI:162415
ChEBI NamePro-Ile-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N3O4
Net Charge0
Average Mass327.425
Monoisotopic Mass327.21581
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C16H29N3O4/c1-5-10(4)13(19-14(20)11-7-6-8-17-11)15(21)18-12(9(2)3)16(22)23/h9-13,17H,5-8H2,1-4H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyAUQGUYPHJSMAKI-CYDGBPFRSA-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-Ile-Val (CHEBI:162415) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanoic acid
Manual XrefsDatabases
61715558ChemSpider