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CHEBI:161192 - Cys-Asp-Asp

ChEBI IDCHEBI:161192
ChEBI NameCys-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17N3O8S
Net Charge0
Average Mass351.337
Monoisotopic Mass351.07364
SMILESN[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C11H17N3O8S/c12-4(3-23)9(19)13-5(1-7(15)16)10(20)14-6(11(21)22)2-8(17)18/h4-6,23H,1-3,12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1
InChIKeyKIHRUISMQZVCNO-ZLUOBGJFSA-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-Asp-Asp (CHEBI:161192) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid