EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H8O4 |
| Net Charge | 0 |
| Average Mass | 156.137 |
| Monoisotopic Mass | 156.04226 |
| SMILES | CC1=C(CC(=O)O)OC(=O)C1 |
| InChI | InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2-3H2,1H3,(H,8,9) |
| InChIKey | DAJDHKXIQYXYPH-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-Methyl-3-oxoadipate-enol-lactone (CHEBI:81662) is a carboxylic acid (CHEBI:33575) |
| 4-Methyl-3-oxoadipate-enol-lactone (CHEBI:81662) is a γ-lactone (CHEBI:37581) |
| Manual Xrefs | Databases |
|---|---|
| C18311 | KEGG COMPOUND |