EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162528 - Pro-Met-Ser

ChEBI IDCHEBI:162528
ChEBI NamePro-Met-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O5S
Net Charge0
Average Mass333.410
Monoisotopic Mass333.13584
SMILESCSCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H23N3O5S/c1-22-6-4-9(12(19)16-10(7-17)13(20)21)15-11(18)8-3-2-5-14-8/h8-10,14,17H,2-7H2,1H3,(H,15,18)(H,16,19)(H,20,21)/t8-,9-,10-/m0/s1
InChIKeyWLJYLAQSUSIQNH-GUBZILKMSA-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-Met-Ser (CHEBI:162528) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-3-hydroxy-2-[[(2S)-4-methylsulanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid