EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H44O3 |
| Net Charge | 0 |
| Average Mass | 428.657 |
| Monoisotopic Mass | 428.32905 |
| SMILES | CCCCCCCCCCCCCCCCCCc1ccc(C(=O)C=CC(=O)O)cc1 |
| InChI | InChI=1S/C28H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21-26(22-20-25)27(29)23-24-28(30)31/h19-24H,2-18H2,1H3,(H,30,31) |
| InChIKey | ZBESASFHIWDSCJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(4-octadecylphenyl)-4-oxo-2-butenoic acid (CHEBI:92834) is a carbonyl compound (CHEBI:36586) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3058 | LINCS |