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CHEBI:136417 - S-(chloromethyl)glutathione
| Formula | C11H18ClN3O6S |
| Net Charge | 0 |
| Average Mass | 355.800 |
| Monoisotopic Mass | 355.06048 |
| SMILES | N[C@@H](CCC(=O)N[C@@H](CSCCl)C(=O)NCC(=O)O)C(=O)O |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Methylobacterium dichloromethanicum (ncbitaxon:408) | - | PubMed (15074037) | |
| Methylobacterium extorquens (ncbitaxon:272630) | - | PubMed (15074037) | |
| Methylophilus sp. strain DM11 (ncbitaxon:45393) | - | PubMed (12974641) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (8600370) | |
| Salmonella typhimurium (ncbitaxon:90371) | - | PubMed (7508089) |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| S-(chloromethyl)glutathione(1−) (CHEBI:133877) is conjugate base of S-(chloromethyl)glutathione (CHEBI:136417) |
| IUPAC Name |
|---|
| L-γ-glutamyl-S-(chloromethyl)-L-cysteinylglycine |
| Synonyms | Source |
|---|---|
| (chloromethyl)glutathione | ChEBI |
| chloromethylglutathione | ChEBI |
| Gsch2Cl | ChemIDplus |
| S-Chloromethylglutathione | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| CAS:150956-90-4 | ChemIDplus |
| Citations |
|---|