EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12N4O4 |
| Net Charge | 0 |
| Average Mass | 264.241 |
| Monoisotopic Mass | 264.08585 |
| SMILES | CCOC(=O)c1cnc(-n2nc(C)cc2=O)nc1=O |
| InChI | InChI=1S/C11H12N4O4/c1-3-19-10(18)7-5-12-11(13-9(7)17)15-8(16)4-6(2)14-15/h4-5,14H,3H2,1-2H3,(H,12,13,17) |
| InChIKey | UAAWALRVKREGDG-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) |
| 2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester (CHEBI:119797) is a pyrimidinecarboxylic acid (CHEBI:78574) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31241 | LINCS |