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CHEBI:160449 - Asp-Cys-Glu

ChEBI IDCHEBI:160449
ChEBI NameAsp-Cys-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O8S
Net Charge0
Average Mass365.364
Monoisotopic Mass365.08929
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O8S/c13-5(3-9(18)19)10(20)15-7(4-24)11(21)14-6(12(22)23)1-2-8(16)17/h5-7,24H,1-4,13H2,(H,14,21)(H,15,20)(H,16,17)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyUWOPETAWXDZUJR-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-Glu (CHEBI:160449) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-sulanylpropanoyl]amino]pentanedioic acid