CHEBI:59050 - dimethyl sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dimethyl sulfate
ChEBI ID CHEBI:59050
Definition The dimethyl ester of sulfuric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Secondary ChEBI IDs CHEBI:371544
Supplier Information
Download Molfile XML SDF
Formula C2H6O4S
Net Charge 0
Average Mass 126.13200
Monoisotopic Mass 125.999
InChI InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
InChIKey VAYGXNSJCAHWJZ-UHFFFAOYSA-N
SMILES COS(=O)(=O)OC
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.
immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
Application(s): immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
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ChEBI Ontology
Outgoing dimethyl sulfate (CHEBI:59050) has role alkylating agent (CHEBI:22333)
dimethyl sulfate (CHEBI:59050) has role immunosuppressive agent (CHEBI:35705)
dimethyl sulfate (CHEBI:59050) is a alkyl sulfate (CHEBI:29281)
IUPAC Name
dimethyl sulfate
Synonyms Sources
Dimethoxysulfone NIST Chemistry WebBook
Dimethyl monosulfate ChemIDplus
Dimethyl sulphate ChemIDplus
DMS NIST Chemistry WebBook
Sulfate dimethylique ChemIDplus
Sulfato de dimetilo ChemIDplus
Sulfuric acid dimethyl ester ChEMBL
Sulfuric acid, dimethyl ester SUBMITTER
Database Link Database
C19177 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
635994 Beilstein Registry Number Beilstein
77-78-1 CAS Registry Number ChemIDplus
77-78-1 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
2299638 PubMed citation ChEMBL
Last Modified
28 July 2014