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CHEBI:161269 - Cys-Gln-Asp

ChEBI IDCHEBI:161269
ChEBI NameCys-Gln-Asp
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](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H20N4O7S/c13-5(4-24)10(20)15-6(1-2-8(14)17)11(21)16-7(12(22)23)3-9(18)19/h5-7,24H,1-4,13H2,(H2,14,17)(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyMGAWEOHYNIMOQJ-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-Gln-Asp (CHEBI:161269) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid