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CHEBI:158559 - Ala-Thr-Val

Default Structure
ChEBI IDCHEBI:158559
ChEBI NameAla-Thr-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O5
Net Charge0
Average Mass289.332
Monoisotopic Mass289.16377
SMILESCC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-5(2)8(12(19)20)14-11(18)9(7(4)16)15-10(17)6(3)13/h5-9,16H,13H2,1-4H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,8-,9-/m0/s1
InChIKeyIETUUAHKCHOQHP-KZVJFYERSA-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-Thr-Val (CHEBI:158559) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid