EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158036 - Ala-Asp-Ile

ChEBI IDCHEBI:158036
ChEBI NameAla-Asp-Ile
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](CC(=O)O)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C13H23N3O6/c1-4-6(2)10(13(21)22)16-12(20)8(5-9(17)18)15-11(19)7(3)14/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
InChIKeyGWFSQQNGMPGBEF-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)
Ala-Asp-Ile (CHEBI:158036) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid