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CHEBI:161626 - Cys-Pro-Asp

ChEBI IDCHEBI:161626
ChEBI NameCys-Pro-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O6S
Net Charge0
Average Mass333.366
Monoisotopic Mass333.09946
SMILESN[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O6S/c13-6(5-22)11(19)15-3-1-2-8(15)10(18)14-7(12(20)21)4-9(16)17/h6-8,22H,1-5,13H2,(H,14,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyKJJASVYBTKRYSN-FXQIFTODSA-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-Asp (CHEBI:161626) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2R)-2-amino-3-sulanylpropanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid