EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H39ClN2O4 |
| Net Charge | 0 |
| Average Mass | 491.072 |
| Monoisotopic Mass | 490.25984 |
| SMILES | C=CCCC/C(=C\Cl)CCC(C)/C=C/CCC(=O)NCC/C(=C\C(=O)N1C(=O)C=C[C@@H]1C)OC |
| InChI | InChI=1S/C27H39ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h5,8,10,14,16,19-22H,1,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)/b10-8+,23-20+,24-19+/t21?,22-/m0/s1 |
| InChIKey | PRVBXXHHHXSICY-YIEYWENTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Jamaicamide C (CHEBI:81591) is a fatty amide (CHEBI:29348) |
| Manual Xrefs | Databases |
|---|---|
| C18214 | KEGG COMPOUND |