EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161511 - Cys-Lys-Gln

ChEBI IDCHEBI:161511
ChEBI NameCys-Lys-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N5O5S
Net Charge0
Average Mass377.467
Monoisotopic Mass377.17329
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H27N5O5S/c15-6-2-1-3-9(18-12(21)8(16)7-25)13(22)19-10(14(23)24)4-5-11(17)20/h8-10,25H,1-7,15-16H2,(H2,17,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10-/m0/s1
InChIKeyGDNWBSFSHJVXKL-GUBZILKMSA-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-Lys-Gln (CHEBI:161511) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid