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CHEBI:164174 - Thr-Pro-Asp

Default Structure
ChEBI IDCHEBI:164174
ChEBI NameThr-Pro-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O7
Net Charge0
Average Mass331.325
Monoisotopic Mass331.13795
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O7/c1-6(17)10(14)12(21)16-4-2-3-8(16)11(20)15-7(13(22)23)5-9(18)19/h6-8,10,17H,2-5,14H2,1H3,(H,15,20)(H,18,19)(H,22,23)/t6-,7+,8+,10+/m1/s1
InChIKeyNDXSOKGYKCGYKT-VEVYYDQMSA-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-Pro-Asp (CHEBI:164174) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid
Manual XrefsDatabases
10162681ChemSpider