EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C43H70O5 |
| Net Charge | 0 |
| Average Mass | 667.028 |
| Monoisotopic Mass | 666.52233 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C43H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,41,44H,3-4,6,8-10,15-16,21-22,27-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m0/s1 |
| InChIKey | CQMUDURVUAVZML-GJPFLTJYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DG(20:3n6/0:0/20:4n3) (CHEBI:178495) is a icosanoid (CHEBI:23899) |
| IUPAC Name |
|---|
| [(2R)-2-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0056328 | HMDB |
| 74854672 | ChemSpider |