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CHEBI:158248 - Ile-Asp-Ala

ChEBI IDCHEBI:158248
ChEBI NameIle-Asp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O6
Net Charge0
Average Mass317.342
Monoisotopic Mass317.15869
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C13H23N3O6/c1-4-6(2)10(14)12(20)16-8(5-9(17)18)11(19)15-7(3)13(21)22/h6-8,10H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyRPZFUIQVAPZLRH-GHCJXIJMSA-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-Asp-Ala (CHEBI:158248) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid