S-(chloromethyl)glutathione (CHEBI:136417)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	S-(chloromethyl)glutathione

ChEBI ID	CHEBI:136417

ChEBI ASCII Name	S-(chloromethyl)glutathione

Definition	An S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a chloromethyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H18ClN3O6S

Net Charge

Average Mass

355.797

Monoisotopic Mass

355.06048

InChI

InChI=1S/C11H18ClN3O6S/c12-5-22-4-7(10(19)14-3-9(17)18)15-8(16)2-1-6(13)11(20)21/h6-7H,1-5,13H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1

InChIKey

CHJNQYVYXPYGEW-BQBZGAKWSA-N

SMILES

N[C@@H](CCC(=O)N[C@@H](CSCCl)C(=O)NCC(=O)O)C(=O)O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	See: PubMed
Methylobacterium extorquens (NCBI:txid272630)	See: PubMed
Methylobacterium dichloromethanicum (NCBI:txid408)	See: PubMed
Methylophilus sp. strain DM11 (NCBI:txid45393)	See: PubMed
Salmonella typhimurium (NCBI:txid90371)	See: PubMed

Roles Classification
Biological Role(s):	alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology
Outgoing	S-(chloromethyl)glutathione (CHEBI:136417) has role alkylating agent (CHEBI:22333) S-(chloromethyl)glutathione (CHEBI:136417) has role bacterial xenobiotic metabolite (CHEBI:76976) S-(chloromethyl)glutathione (CHEBI:136417) has role mouse metabolite (CHEBI:75771) S-(chloromethyl)glutathione (CHEBI:136417) is a S-substituted glutathione (CHEBI:17021) S-(chloromethyl)glutathione (CHEBI:136417) is a organochlorine compound (CHEBI:36683) S-(chloromethyl)glutathione (CHEBI:136417) is conjugate acid of S-(chloromethyl)glutathione(1−) (CHEBI:133877)

Incoming	S-(chloromethyl)glutathione(1−) (CHEBI:133877) is conjugate base of S-(chloromethyl)glutathione (CHEBI:136417)

IUPAC Name

L-γ-glutamyl-S-(chloromethyl)-L-cysteinylglycine

Registry Number	Type	Source
150956-90-4	CAS Registry Number	ChemIDplus

Last Modified

05 March 2020