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CHEBI:16754 - 4-carboxymethyl-3-methylbut-2-en-1,4-olide
| Formula | C7H8O4 |
| Net Charge | 0 |
| Average Mass | 156.137 |
| Monoisotopic Mass | 156.04226 |
| SMILES | CC1=CC(=O)OC1CC(=O)O |
| InChI | InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9) |
| InChIKey | GXEVIPDDAUJTCF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-carboxymethyl-3-methylbut-2-en-1,4-olide (CHEBI:16754) is a 5-oxo-2-furylacetic acid (CHEBI:23730) |
| 4-carboxymethyl-3-methylbut-2-en-1,4-olide (CHEBI:16754) is conjugate acid of 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1−) (CHEBI:57883) |
| Incoming Relation(s) |
| 4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1−) (CHEBI:57883) is conjugate base of 4-carboxymethyl-3-methylbut-2-en-1,4-olide (CHEBI:16754) |
| IUPAC Name |
|---|
| (3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid |
| Synonyms | Source |
|---|---|
| 3-methylmuconolactone | ChEBI |
| 3-Methylmuconolactone | KEGG COMPOUND |
| 4-Carboxymethyl-3-methylbut-2-en-1,4-olide | KEGG COMPOUND |
| 4-Carboxymethyl-3-methylbut-2-en-1,4-olide | KEGG COMPOUND |
| 5-carboxymethyl-4-methylfuran-2(5H)-one | ChEBI |