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CHEBI:163735 - Thr-Asp-Asp

Default Structure
ChEBI IDCHEBI:163735
ChEBI NameThr-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O9
Net Charge0
Average Mass349.296
Monoisotopic Mass349.11213
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O9/c1-4(16)9(13)11(22)14-5(2-7(17)18)10(21)15-6(12(23)24)3-8(19)20/h4-6,9,16H,2-3,13H2,1H3,(H,14,22)(H,15,21)(H,17,18)(H,19,20)(H,23,24)/t4-,5+,6+,9+/m1/s1
InChIKeyYOSLMIPKOUAHKI-OLHMAJIHSA-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-Asp (CHEBI:163735) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid