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CHEBI:161637 - Cys-Pro-Ile

ChEBI IDCHEBI:161637
ChEBI NameCys-Pro-Ile
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O4S
Net Charge0
Average Mass331.438
Monoisotopic Mass331.15658
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C14H25N3O4S/c1-3-8(2)11(14(20)21)16-12(18)10-5-4-6-17(10)13(19)9(15)7-22/h8-11,22H,3-7,15H2,1-2H3,(H,16,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyXCDDSPYIMNXECQ-NAKRPEOUSA-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-Ile (CHEBI:161637) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2R)-2-amino-3-sulanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
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