EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H40O2 |
| Net Charge | 0 |
| Average Mass | 336.560 |
| Monoisotopic Mass | 336.30283 |
| SMILES | CCCCCCCCCCCC=CC(C)(C)C=CCCCC(=O)O |
| InChI | InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24) |
| InChIKey | AGKRHAILCPYNFH-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) |
| 7,7-dimethyleicosa-5,8-dienoic acid (CHEBI:114183) is a long-chain fatty acid (CHEBI:15904) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25623 | LINCS |