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CHEBI:162385 - Pro-Ile-Cys

ChEBI IDCHEBI:162385
ChEBI NamePro-Ile-Cys
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]1CCCN1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C14H25N3O4S/c1-3-8(2)11(13(19)16-10(7-22)14(20)21)17-12(18)9-5-4-6-15-9/h8-11,15,22H,3-7H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyTYMBHHITTMGGPI-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-Ile-Cys (CHEBI:162385) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-sulanylpropanoic acid