EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164358 - His-Cys-Gln

ChEBI IDCHEBI:164358
ChEBI NameHis-Cys-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22N6O5S
Net Charge0
Average Mass386.434
Monoisotopic Mass386.13724
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C14H22N6O5S/c15-8(3-7-4-17-6-18-7)12(22)20-10(5-26)13(23)19-9(14(24)25)1-2-11(16)21/h4,6,8-10,26H,1-3,5,15H2,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t8-,9-,10-/m0/s1
InChIKeyIDQKGZWUPVOGPZ-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)
His-Cys-Gln (CHEBI:164358) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-5-oxopentanoic acid