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CHEBI:161451 - Cys-Ile-Ser

ChEBI IDCHEBI:161451
ChEBI NameCys-Ile-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O5S
Net Charge0
Average Mass321.399
Monoisotopic Mass321.13584
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H23N3O5S/c1-3-6(2)9(15-10(17)7(13)5-21)11(18)14-8(4-16)12(19)20/h6-9,16,21H,3-5,13H2,1-2H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7-,8-,9-/m0/s1
InChIKeyVFGADOJXRLWTBU-JBDRJPRFSA-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-Ser (CHEBI:161451) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid