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CHEBI:161630 - Cys-Pro-Gln

ChEBI IDCHEBI:161630
ChEBI NameCys-Pro-Gln
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O5S
Net Charge0
Average Mass346.409
Monoisotopic Mass346.13109
SMILESNC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C13H22N4O5S/c14-7(6-23)12(20)17-5-1-2-9(17)11(19)16-8(13(21)22)3-4-10(15)18/h7-9,23H,1-6,14H2,(H2,15,18)(H,16,19)(H,21,22)/t7-,8-,9-/m0/s1
InChIKeyTXCCRYAZQBUCOV-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-Pro-Gln (CHEBI:161630) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-1-[(2R)-2-amino-3-sulanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid