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CHEBI:163629 - Thr-Ala-Ile

ChEBI IDCHEBI:163629
ChEBI NameThr-Ala-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O5
Net Charge0
Average Mass303.359
Monoisotopic Mass303.17942
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-5-6(2)10(13(20)21)16-11(18)7(3)15-12(19)9(14)8(4)17/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8+,9-,10-/m0/s1
InChIKeyPXQUBKWZENPDGE-CIQUZCHMSA-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)
Thr-Ala-Ile (CHEBI:163629) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylpentanoic acid