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CHEBI:162196 - Pro-Cys-Ile

ChEBI IDCHEBI:162196
ChEBI NamePro-Cys-Ile
Stars
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](CS)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C14H25N3O4S/c1-3-8(2)11(14(20)21)17-13(19)10(7-22)16-12(18)9-5-4-6-15-9/h8-11,15,22H,3-7H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyGQLOZEMWEBDEAY-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)
Pro-Cys-Ile (CHEBI:162196) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-3-methyl-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulanylpropanoyl]amino]pentanoic acid