EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H32O2 |
| Net Charge | 0 |
| Average Mass | 542.264 |
| Monoisotopic Mass | 542.05248 |
| SMILES | CCCCCCCC/C([131I])=C(/[131I])CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H32I2O2/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h2-15H2,1H3,(H,21,22)/b17-16-/i19+4,20+4 |
| InChIKey | AJLNCCBKZPMARL-LMSMACSHSA-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) |
| oleic acid i 131 (CHEBI:752192) is a long-chain fatty acid (CHEBI:15904) |
| Synonym | Source |
|---|---|
| Oleic acid i 131 | ChEMBL |