CHEBI:76004 - dimethyl fumarate

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ChEBI Name dimethyl fumarate
ChEBI ID CHEBI:76004
Definition An enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H8O4
Net Charge 0
Average Mass 144.12530
Monoisotopic Mass 144.042
InChI InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey LDCRTTXIJACKKU-ONEGZZNKSA-N
SMILES COC(=O)\C=C\C(=O)OC
Roles Classification
Biological Role(s): immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
Application(s): immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
antipsoriatic
A drug used to treat psoriasis.
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ChEBI Ontology
Outgoing dimethyl fumarate (CHEBI:76004) has functional parent fumaric acid (CHEBI:18012)
dimethyl fumarate (CHEBI:76004) has functional parent methanol (CHEBI:17790)
dimethyl fumarate (CHEBI:76004) has role antipsoriatic (CHEBI:50748)
dimethyl fumarate (CHEBI:76004) has role immunomodulator (CHEBI:50846)
dimethyl fumarate (CHEBI:76004) is a diester (CHEBI:51307)
dimethyl fumarate (CHEBI:76004) is a enoate ester (CHEBI:51702)
dimethyl fumarate (CHEBI:76004) is a methyl ester (CHEBI:25248)
IUPAC Name
dimethyl (2E)-but-2-enedioate
Synonyms Sources
(E)-But-2-enedioic acid dimethyl ester NIST Chemistry WebBook
1,2-bis(methoxycarbonyl)-trans-ethylene HMDB
Dimethyl trans-ethylenedicarboxylate ChemIDplus
Fumaric acid, dimethyl ester ChemIDplus
Tecfidera KEGG DRUG
trans-1,2-Ethylenedicarboxylic acid dimethyl ester ChemIDplus
trans-Butenedioic acid dimethyl ester ChemIDplus
Manual Xrefs Databases
4757 DrugCentral
D03846 KEGG DRUG
DB08908 DrugBank
Dimethyl_fumarate Wikipedia
HMDB0031257 HMDB
US2008089861 Patent
WO2011100589 Patent
View more database links
Registry Numbers Types Sources
624-49-7 CAS Registry Number NIST Chemistry WebBook
624-49-7 CAS Registry Number ChemIDplus
624-49-7 CAS Registry Number KEGG DRUG
774590 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23946617 PubMed citation Europe PMC
24061646 PubMed citation Europe PMC
24131282 PubMed citation Europe PMC
Last Modified
22 February 2017