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CHEBI:161631 - Cys-Pro-Glu

ChEBI IDCHEBI:161631
ChEBI NameCys-Pro-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O6S
Net Charge0
Average Mass347.393
Monoisotopic Mass347.11511
SMILESN[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O6S/c14-7(6-23)12(20)16-5-1-2-9(16)11(19)15-8(13(21)22)3-4-10(17)18/h7-9,23H,1-6,14H2,(H,15,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1
InChIKeyMBRWOKXNHTUJMB-CIUDSAMLSA-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)
Cys-Pro-Glu (CHEBI:161631) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2R)-2-amino-3-sulanylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid