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CHEBI:161006 - Met-Pro-Ala

Default Structure
ChEBI IDCHEBI:161006
ChEBI NameMet-Pro-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O4S
Net Charge0
Average Mass317.411
Monoisotopic Mass317.14093
SMILESCSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C13H23N3O4S/c1-8(13(19)20)15-11(17)10-4-3-6-16(10)12(18)9(14)5-7-21-2/h8-10H,3-7,14H2,1-2H3,(H,15,17)(H,19,20)/t8-,9-,10-/m0/s1
InChIKeyVQILILSLEFDECU-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-Ala (CHEBI:161006) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulanylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid