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CHEBI:162168 - Pro-Asp-Ser

Default Structure
ChEBI IDCHEBI:162168
ChEBI NamePro-Asp-Ser
Stars
Last Modified26 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O7
Net Charge0
Average Mass317.298
Monoisotopic Mass317.12230
SMILESO=C(O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H19N3O7/c16-5-8(12(21)22)15-11(20)7(4-9(17)18)14-10(19)6-2-1-3-13-6/h6-8,13,16H,1-5H2,(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t6-,7-,8-/m0/s1
InChIKeyZCXQTRXYZOSGJR-FXQIFTODSA-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-Ser (CHEBI:162168) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid