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CHEBI:161459 - Cys-Ile-Val

ChEBI IDCHEBI:161459
ChEBI NameCys-Ile-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O4S
Net Charge0
Average Mass333.454
Monoisotopic Mass333.17223
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C14H27N3O4S/c1-5-8(4)11(17-12(18)9(15)6-22)13(19)16-10(7(2)3)14(20)21/h7-11,22H,5-6,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyPDRMRVHPAQKTLT-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-Ile-Val (CHEBI:161459) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid