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CHEBI:160629 - Asp-Ile-Ala

Default Structure
ChEBI IDCHEBI:160629
ChEBI NameAsp-Ile-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O6
Net Charge0
Average Mass317.342
Monoisotopic Mass317.15869
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C13H23N3O6/c1-4-6(2)10(12(20)15-7(3)13(21)22)16-11(19)8(14)5-9(17)18/h6-8,10H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyKTTCQQNRRLCIBC-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)
Asp-Ile-Ala (CHEBI:160629) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid