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CHEBI:161036 - Met-Pro-Ser

ChEBI IDCHEBI:161036
ChEBI NameMet-Pro-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O5S
Net Charge0
Average Mass333.410
Monoisotopic Mass333.13584
SMILESCSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H23N3O5S/c1-22-6-4-8(14)12(19)16-5-2-3-10(16)11(18)15-9(7-17)13(20)21/h8-10,17H,2-7,14H2,1H3,(H,15,18)(H,20,21)/t8-,9-,10-/m0/s1
InChIKeyNHXXGBXJTLRGJI-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)
Met-Pro-Ser (CHEBI:161036) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid