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CHEBI:163729 - Thr-Asp-Ala

ChEBI IDCHEBI:163729
ChEBI NameThr-Asp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H19N3O7
Net Charge0
Average Mass305.287
Monoisotopic Mass305.12230
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C11H19N3O7/c1-4(11(20)21)13-9(18)6(3-7(16)17)14-10(19)8(12)5(2)15/h4-6,8,15H,3,12H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)(H,20,21)/t4-,5+,6-,8-/m0/s1
InChIKeyLMMDEZPNUTZJAY-GCJQMDKQSA-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-Asp-Ala (CHEBI:163729) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid