EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161188 - Cys-Asp-Arg

ChEBI IDCHEBI:161188
ChEBI NameCys-Asp-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N6O6S
Net Charge0
Average Mass392.438
Monoisotopic Mass392.14780
SMILESNC(N)=NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C13H24N6O6S/c14-6(5-26)10(22)19-8(4-9(20)21)11(23)18-7(12(24)25)2-1-3-17-13(15)16/h6-8,26H,1-5,14H2,(H,18,23)(H,19,22)(H,20,21)(H,24,25)(H4,15,16,17)/t6-,7-,8-/m0/s1
InChIKeyFWYBFUDWUUFLDN-FXQIFTODSA-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-Arg (CHEBI:161188) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
16570019ChemSpider