EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161307 - Cys-Glu-Asp

ChEBI IDCHEBI:161307
ChEBI NameCys-Glu-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O8S
Net Charge0
Average Mass365.364
Monoisotopic Mass365.08929
SMILESN[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H19N3O8S/c13-5(4-24)10(20)14-6(1-2-8(16)17)11(21)15-7(12(22)23)3-9(18)19/h5-7,24H,1-4,13H2,(H,14,20)(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyVBPGTULCFGKGTF-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-Glu-Asp (CHEBI:161307) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid