dimethyl fumarate (CHEBI:76004)

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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

Average Mass

144.12530

Monoisotopic Mass

144.04226

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.

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

Last Modified

22 February 2017