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CHEBI:161186 - Cys-Asp-Ala

ChEBI IDCHEBI:161186
ChEBI NameCys-Asp-Ala
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N3O6S
Net Charge0
Average Mass307.328
Monoisotopic Mass307.08381
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C10H17N3O6S/c1-4(10(18)19)12-9(17)6(2-7(14)15)13-8(16)5(11)3-20/h4-6,20H,2-3,11H2,1H3,(H,12,17)(H,13,16)(H,14,15)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyVNLYIYOYUNGURO-ZLUOBGJFSA-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-Ala (CHEBI:161186) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid