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

Default Structure
ChEBI IDCHEBI:229639
ChEBI NameS-(alpha-chlorocarboxymethyl)glutathione
Stars
DefinitionProduct of glutathion transfer onto dichloroacette (DCA), catalyzed by GSTZ1
SubmitterR. Stephan
DownloadsMolfile
FormulaC12H17ClN3O8S
Net Charge-1
Average Mass398.801
Monoisotopic Mass398.04304
SMILESN[C@@H](CCC(=O)N[C@@H](CSC(Cl)C(=O)[O-])C(=O)NCC(=O)O)C(=O)O
InChIInChI=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
InChIKeyQSJWCVDVLJSMFK-NCYRLESRSA-M
ChEBI Ontology
Outgoing Relation(s)
S-(alpha-chlorocarboxymethyl)glutathione (CHEBI:229639) is a organic molecular entity (CHEBI:50860)
Citations