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CHEBI:161391 - Cys-His-Gln

ChEBI IDCHEBI:161391
ChEBI NameCys-His-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](Cc1cncn1)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C14H22N6O5S/c15-8(5-26)12(22)20-10(3-7-4-17-6-18-7)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
InChIKeyVTJLJQGUMBWHBP-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-His-Gln (CHEBI:161391) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoic acid