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CHEBI:162170 - Pro-Asp-Thr

ChEBI IDCHEBI:162170
ChEBI NamePro-Asp-Thr
Stars
Last Modified26 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O7
Net Charge0
Average Mass331.325
Monoisotopic Mass331.13795
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C13H21N3O7/c1-6(17)10(13(22)23)16-12(21)8(5-9(18)19)15-11(20)7-3-2-4-14-7/h6-8,10,14,17H,2-5H2,1H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t6-,7+,8+,10+/m1/s1
InChIKeySFECXGVELZFBFJ-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-Asp-Thr (CHEBI:162170) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid