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CHEBI:157923 - Ala-Ala-Ile

ChEBI IDCHEBI:157923
ChEBI NameAla-Ala-Ile
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O4
Net Charge0
Average Mass273.333
Monoisotopic Mass273.16886
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-5-6(2)9(12(18)19)15-11(17)8(4)14-10(16)7(3)13/h6-9H,5,13H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)/t6-,7-,8-,9-/m0/s1
InChIKeyLGQPPBQRUBVTIF-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)
Ala-Ala-Ile (CHEBI:157923) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-methylpentanoic acid