EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16N2O4 |
| Net Charge | 0 |
| Average Mass | 264.281 |
| Monoisotopic Mass | 264.11101 |
| SMILES | CC(C)(C)OC(=O)NN=Cc1ccc(C(=O)O)cc1 |
| InChI | InChI=1S/C13H16N2O4/c1-13(2,3)19-12(18)15-14-8-9-4-6-10(7-5-9)11(16)17/h4-8H,1-3H3,(H,15,18)(H,16,17) |
| InChIKey | GVYOUSIHERXGRQ-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-[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]methyl]benzoic acid (CHEBI:107117) is a benzoic acids (CHEBI:22723) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18471 | LINCS |