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CHEBI:161830 - Cys-Val-Gln

ChEBI IDCHEBI:161830
ChEBI NameCys-Val-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5S
Net Charge0
Average Mass348.425
Monoisotopic Mass348.14674
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O5S/c1-6(2)10(17-11(19)7(14)5-23)12(20)16-8(13(21)22)3-4-9(15)18/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,10-/m0/s1
InChIKeyIOLWXFWVYYCVTJ-NRPADANISA-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-Val-Gln (CHEBI:161830) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid