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CHEBI:161076 - Cys-Ala-Gln

Default Structure
ChEBI IDCHEBI:161076
ChEBI NameCys-Ala-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20N4O5S
Net Charge0
Average Mass320.371
Monoisotopic Mass320.11544
SMILESC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5S/c1-5(14-10(18)6(12)4-21)9(17)15-7(11(19)20)2-3-8(13)16/h5-7,21H,2-4,12H2,1H3,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)/t5-,6-,7-/m0/s1
InChIKeyXMTDCXXLDZKAGI-ACZMJKKPSA-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-Ala-Gln (CHEBI:161076) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid