EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H22O2 |
| Net Charge | 0 |
| Average Mass | 198.306 |
| Monoisotopic Mass | 198.16198 |
| SMILES | CCCC/C=C\CCCCCC(=O)O |
| InChI | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-6H,2-4,7-11H2,1H3,(H,13,14)/b6-5- |
| InChIKey | MZNHSVOKYCWLPQ-WAYWQWQTSA-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) |
| 7Z-dodecenoic acid (CHEBI:179203) is a medium-chain fatty acid (CHEBI:59554) |
| IUPAC Name |
|---|
| (Z)-dodec-7-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 4471805 | ChemSpider |
| LMFA01030228 | LIPID MAPS |