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CHEBI:158126 - Ile-Ala-Ala

Default Structure
ChEBI IDCHEBI:158126
ChEBI NameIle-Ala-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O4
Net Charge0
Average Mass273.333
Monoisotopic Mass273.16886
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-6(2)9(13)11(17)14-7(3)10(16)15-8(4)12(18)19/h6-9H,5,13H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)/t6-,7-,8-,9-/m0/s1
InChIKeyNKVZTQVGUNLLQW-JBDRJPRFSA-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-Ala-Ala (CHEBI:158126) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]propanoic acid