EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H18ClNO2 |
| Net Charge | 0 |
| Average Mass | 255.745 |
| Monoisotopic Mass | 255.10261 |
| SMILES | CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1 |
| InChI | InChI=1S/C13H18ClNO2/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10/h4-7,9H,8,15H2,1-3H3 |
| InChIKey | FZSPJBYOKQPKCD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-aminopropanoic acid [1-(4-chlorophenyl)-2-methylpropan-2-yl] ester (CHEBI:91544) is a α-amino acid ester (CHEBI:46874) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1333 | LINCS |