EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161425 - Cys-Ile-Asn

ChEBI IDCHEBI:161425
ChEBI NameCys-Ile-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5S
Net Charge0
Average Mass348.425
Monoisotopic Mass348.14674
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O5S/c1-3-6(2)10(17-11(19)7(14)5-23)12(20)16-8(13(21)22)4-9(15)18/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyLKUCSUGWHYVYLP-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-Asn (CHEBI:161425) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid