EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161427 - Cys-Ile-Asp

ChEBI IDCHEBI:161427
ChEBI NameCys-Ile-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O6S
Net Charge0
Average Mass349.409
Monoisotopic Mass349.13076
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O6S/c1-3-6(2)10(16-11(19)7(14)5-23)12(20)15-8(13(21)22)4-9(17)18/h6-8,10,23H,3-5,14H2,1-2H3,(H,15,20)(H,16,19)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyDVIHGGUODLILFN-GHCJXIJMSA-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-Ile-Asp (CHEBI:161427) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid