EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158696 - Ile-Pro-Asp

ChEBI IDCHEBI:158696
ChEBI NameIle-Pro-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N3O6
Net Charge0
Average Mass343.380
Monoisotopic Mass343.17434
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C15H25N3O6/c1-3-8(2)12(16)14(22)18-6-4-5-10(18)13(21)17-9(15(23)24)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
InChIKeyOWSWUWDMSNXTNE-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)
Ile-Pro-Asp (CHEBI:158696) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid