EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161242 - Cys-Cys-Ile

ChEBI IDCHEBI:161242
ChEBI NameCys-Cys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O4S2
Net Charge0
Average Mass337.467
Monoisotopic Mass337.11300
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H23N3O4S2/c1-3-6(2)9(12(18)19)15-11(17)8(5-21)14-10(16)7(13)4-20/h6-9,20-21H,3-5,13H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t6-,7-,8-,9-/m0/s1
InChIKeyXRJFPHCGGQOORT-JBDRJPRFSA-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-Cys-Ile (CHEBI:161242) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid