EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21NO4 |
| Net Charge | 0 |
| Average Mass | 327.380 |
| Monoisotopic Mass | 327.14706 |
| SMILES | CC1CCN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC1 |
| InChI | InChI=1S/C19H21NO4/c1-13-6-8-20(9-7-13)18(22)12-24-19(23)16-10-14-4-2-3-5-15(14)11-17(16)21/h2-5,10-11,13,21H,6-9,12H2,1H3 |
| InChIKey | FNJJBUJUTCSQHD-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) |
| 3-hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester (CHEBI:109652) is a naphthoic acid (CHEBI:25483) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21080 | LINCS |