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CHEBI:161273 - Cys-Gln-Glu

ChEBI IDCHEBI:161273
ChEBI NameCys-Gln-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O7S
Net Charge0
Average Mass378.407
Monoisotopic Mass378.12092
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O7S/c14-6(5-25)11(21)16-7(1-3-9(15)18)12(22)17-8(13(23)24)2-4-10(19)20/h6-8,25H,1-5,14H2,(H2,15,18)(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyMBILEVLLOHJZMG-FXQIFTODSA-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-Glu (CHEBI:161273) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid