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CHEBI:162663 - Pro-Thr-Asp

ChEBI IDCHEBI:162663
ChEBI NamePro-Thr-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O7
Net Charge0
Average Mass331.325
Monoisotopic Mass331.13795
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O7/c1-6(17)10(16-11(20)7-3-2-4-14-7)12(21)15-8(13(22)23)5-9(18)19/h6-8,10,14,17H,2-5H2,1H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7+,8+,10+/m1/s1
InChIKeyQUBVFEANYYWBTM-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)
Pro-Thr-Asp (CHEBI:162663) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanedioic acid