EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:162649 - Pro-Ser-Thr

ChEBI IDCHEBI:162649
ChEBI NamePro-Ser-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6
Net Charge0
Average Mass303.315
Monoisotopic Mass303.14304
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-6(17)9(12(20)21)15-11(19)8(5-16)14-10(18)7-3-2-4-13-7/h6-9,13,16-17H,2-5H2,1H3,(H,14,18)(H,15,19)(H,20,21)/t6-,7+,8+,9+/m1/s1
InChIKeyKWMZPPWYBVZIER-XGEHTFHBSA-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-Ser-Thr (CHEBI:162649) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoic acid