EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161279 - Cys-Gln-Ile

ChEBI IDCHEBI:161279
ChEBI NameCys-Gln-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O5S
Net Charge0
Average Mass362.452
Monoisotopic Mass362.16239
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C14H26N4O5S/c1-3-7(2)11(14(22)23)18-13(21)9(4-5-10(16)19)17-12(20)8(15)6-24/h7-9,11,24H,3-6,15H2,1-2H3,(H2,16,19)(H,17,20)(H,18,21)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKeyRFHGRMMADHHQSA-KBIXCLLPSA-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-Gln-Ile (CHEBI:161279) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid