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CHEBI:158249 - Ala-Ile-Asp

ChEBI IDCHEBI:158249
ChEBI NameAla-Ile-Asp
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](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O6/c1-4-6(2)10(16-11(19)7(3)14)12(20)15-8(13(21)22)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
InChIKeyHQJKCXHQNUCKMY-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-Ile-Asp (CHEBI:158249) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid