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CHEBI:161222 - Cys-Asp-Val

ChEBI IDCHEBI:161222
ChEBI NameCys-Asp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6S
Net Charge0
Average Mass335.382
Monoisotopic Mass335.11511
SMILESCC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H21N3O6S/c1-5(2)9(12(20)21)15-11(19)7(3-8(16)17)14-10(18)6(13)4-22/h5-7,9,22H,3-4,13H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyWXKWQSDHEXKKNC-ZKWXMUAHSA-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-Asp-Val (CHEBI:161222) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoic acid