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CHEBI:160846 - Asp-Pro-Ile

ChEBI IDCHEBI:160846
ChEBI NameAsp-Pro-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N3O6
Net Charge0
Average Mass343.380
Monoisotopic Mass343.17434
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C15H25N3O6/c1-3-8(2)12(15(23)24)17-13(21)10-5-4-6-18(10)14(22)9(16)7-11(19)20/h8-10,12H,3-7,16H2,1-2H3,(H,17,21)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKeyMVRGBQGZSDJBSM-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)
Asp-Pro-Ile (CHEBI:160846) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid