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CHEBI:87388 - diethyl fumarate
| Formula | C8H12O4 |
| Net Charge | 0 |
| Average Mass | 172.180 |
| Monoisotopic Mass | 172.07356 |
| SMILES | CCOC(=O)/C=C/C(=O)OCC |
| InChI | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
| InChIKey | IEPRKVQEAMIZSS-AATRIKPKSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| diethyl fumarate (CHEBI:87388) has functional parent fumaric acid (CHEBI:18012) |
| diethyl fumarate (CHEBI:87388) has role metabolite (CHEBI:25212) |
| diethyl fumarate (CHEBI:87388) is a diester (CHEBI:51307) |
| IUPAC Name |
|---|
| diethyl (2E)-but-2-enedioate |
| Synonym | Source |
|---|---|
| fumaric acid diethyl ester | ChEBI |