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CHEBI:163741 - Thr-Asp-Glu

Default Structure
ChEBI IDCHEBI:163741
ChEBI NameThr-Asp-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O9
Net Charge0
Average Mass363.323
Monoisotopic Mass363.12778
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O9/c1-5(17)10(14)12(23)16-7(4-9(20)21)11(22)15-6(13(24)25)2-3-8(18)19/h5-7,10,17H,2-4,14H2,1H3,(H,15,22)(H,16,23)(H,18,19)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyYBXMGKCLOPDEKA-NUMRIWBASA-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-Glu (CHEBI:163741) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
Manual XrefsDatabases
57478675ChemSpider