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CHEBI:76004 - dimethyl fumarate
| Formula | C6H8O4 |
| Net Charge | 0 |
| Average Mass | 144.126 |
| Monoisotopic Mass | 144.04226 |
| SMILES | COC(=O)/C=C/C(=O)OC |
| InChI | InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ |
| InChIKey | LDCRTTXIJACKKU-ONEGZZNKSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. |
| Applications: | 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 Relation(s) |
| 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 | Source |
|---|---|
| Tecfidera | KEGG DRUG |
| trans-1,2-Ethylenedicarboxylic acid dimethyl ester | ChemIDplus |
| Dimethyl trans-ethylenedicarboxylate | ChemIDplus |
| Fumaric acid, dimethyl ester | ChemIDplus |
| trans-Butenedioic acid dimethyl ester | ChemIDplus |
| (E)-But-2-enedioic acid dimethyl ester | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| D03846 | KEGG DRUG |
| DB08908 | DrugBank |
| WO2011100589 | Patent |
| US2008089861 | Patent |
| Dimethyl_fumarate | Wikipedia |
| HMDB0031257 | HMDB |
| 4757 | DrugCentral |
| Citations |
|---|