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CHEBI:161826 - Cys-Val-Asp

ChEBI IDCHEBI:161826
ChEBI NameCys-Val-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6S
Net Charge0
Average Mass335.382
Monoisotopic Mass335.11511
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H21N3O6S/c1-5(2)9(15-10(18)6(13)4-22)11(19)14-7(12(20)21)3-8(16)17/h5-7,9,22H,3-4,13H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyDGQJGBDBFVGLGL-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-Val-Asp (CHEBI:161826) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid