EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H12O4 |
| Net Charge | 0 |
| Average Mass | 172.180 |
| Monoisotopic Mass | 172.07356 |
| SMILES | CCOC(=O)C(=O)CC(=O)CC |
| InChI | InChI=1S/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3 |
| InChIKey | JGFBKJBAYISHAG-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) |
| Ethyl 2,4-dioxohexanoate (CHEBI:173788) is a 3-acylpyruvic acid (CHEBI:1447) |
| IUPAC Name |
|---|
| ethyl 2,4-dioxohexanoate |
| Manual Xrefs | Databases |
|---|---|
| 55499 | ChemSpider |
| HMDB0034851 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:13246-52-1 | ChemIDplus |