EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161073 - Cys-Ala-Asp

ChEBI IDCHEBI:161073
ChEBI NameCys-Ala-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N3O6S
Net Charge0
Average Mass307.328
Monoisotopic Mass307.08381
SMILESC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H17N3O6S/c1-4(12-9(17)5(11)3-20)8(16)13-6(10(18)19)2-7(14)15/h4-6,20H,2-3,11H2,1H3,(H,12,17)(H,13,16)(H,14,15)(H,18,19)/t4-,5-,6-/m0/s1
InChIKeyQFMCHXSGIZPBKG-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-Ala-Asp (CHEBI:161073) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]propanoyl]amino]butanedioic acid