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CHEBI:160447 - Asp-Cys-Gln

ChEBI IDCHEBI:160447
ChEBI NameAsp-Cys-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O7S
Net Charge0
Average Mass364.380
Monoisotopic Mass364.10527
SMILESNC(=O)CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H20N4O7S/c13-5(3-9(18)19)10(20)16-7(4-24)11(21)15-6(12(22)23)1-2-8(14)17/h5-7,24H,1-4,13H2,(H2,14,17)(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyAPYNREQHZOGYHV-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)
Asp-Cys-Gln (CHEBI:160447) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-sulanylpropanoyl]amino]-5-oxopentanoic acid