EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H22N2O5 |
| Net Charge | 0 |
| Average Mass | 322.361 |
| Monoisotopic Mass | 322.15287 |
| SMILES | CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O |
| InChI | InChI=1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23) |
| InChIKey | WNIDXAKKFOKNEF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid (CHEBI:93120) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3430 | LINCS |