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CHEBI:162383 - Pro-Ile-Asp

ChEBI IDCHEBI:162383
ChEBI NamePro-Ile-Asp
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]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C15H25N3O6/c1-3-8(2)12(18-13(21)9-5-4-6-16-9)14(22)17-10(15(23)24)7-11(19)20/h8-10,12,16H,3-7H2,1-2H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKeyAQGUSRZKDZYGGV-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)
Pro-Ile-Asp (CHEBI:162383) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanedioic acid