EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H36O5 |
| Net Charge | 0 |
| Average Mass | 368.514 |
| Monoisotopic Mass | 368.25627 |
| SMILES | CCCCCCCCCCCCCCCC(=O)C1C(=O)OC(CO)C1=O |
| InChI | InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18-19,22H,2-16H2,1H3 |
| InChIKey | CPQQKPHTOQWKMF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(hydroxymethyl)-3-(1-oxohexadecyl)oxolane-2,4-dione (CHEBI:91874) is a β-diketone (CHEBI:67265) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1802 | LINCS |