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CHEBI:163758 - Thr-Asp-Thr

Default Structure
ChEBI IDCHEBI:163758
ChEBI NameThr-Asp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O8
Net Charge0
Average Mass335.313
Monoisotopic Mass335.13286
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C12H21N3O8/c1-4(16)8(13)11(21)14-6(3-7(18)19)10(20)15-9(5(2)17)12(22)23/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,21)(H,15,20)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1
InChIKeyXDARBNMYXKUFOJ-GSSVUCPTSA-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-Thr (CHEBI:163758) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobutanoic acid