EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H43NO4 |
| Net Charge | 0 |
| Average Mass | 445.644 |
| Monoisotopic Mass | 445.31921 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
| InChI | InChI=1S/C27H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h6-7,9-10,12-13,15-16,18-19,25H,5,8,11,14,17,20-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | USUPQTJPNBGUSJ-WMPRHZDHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Timnodonyl carnitine (CHEBI:140755) is a organic molecular entity (CHEBI:50860) |