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CHEBI:161116 - Cys-Arg-Gln

ChEBI IDCHEBI:161116
ChEBI NameCys-Arg-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N7O5S
Net Charge0
Average Mass405.481
Monoisotopic Mass405.17944
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C14H27N7O5S/c15-7(6-27)11(23)20-8(2-1-5-19-14(17)18)12(24)21-9(13(25)26)3-4-10(16)22/h7-9,27H,1-6,15H2,(H2,16,22)(H,20,23)(H,21,24)(H,25,26)(H4,17,18,19)/t7-,8-,9-/m0/s1
InChIKeyBUIYOWKUSCTBRE-CIUDSAMLSA-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-Arg-Gln (CHEBI:161116) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid