CHEBI:229639 - S-(alpha-chlorocarboxymethyl)glutathione

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name S-(alpha-chlorocarboxymethyl)glutathione
ChEBI ID CHEBI:229639
Definition Product of glutathion transfer onto dichloroacette (DCA), catalyzed by GSTZ1
Stars This entity has been manually annotated by a third party.
Submitter R. Stephan
Supplier Information
Download Molfile XML SDF
Formula C12H17ClN3O8S
Net Charge -1
Average Mass 398.790
Monoisotopic Mass 398.04304
InChI InChI=1S/C12H18ClN3O8S/c13-9(12(23)24)25-4-6(10(20)15-3-8(18)19)16-7(17)2-1-5(14)11(21)22/h5-6,9H,1-4,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H,23,24)/p-1/t5-,6-,9?/m0/s1
InChIKey QSJWCVDVLJSMFK-NCYRLESRSA-M
SMILES N[C@@H](CCC(=O)N[C@@H](CSC(C(=O)[O-])Cl)C(=O)NCC(O)=O)C(O)=O
ChEBI Ontology
Outgoing S-(alpha-chlorocarboxymethyl)glutathione (CHEBI:229639) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
11327815 PubMed citation SUBMITTER