EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H40O5 |
| Net Charge | 0 |
| Average Mass | 432.601 |
| Monoisotopic Mass | 432.28757 |
| SMILES | CC(C)OC(=O)CCCC=CC[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O |
| InChI | InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/t21-,22+,23+,24-,25+/m0/s1 |
| InChIKey | GGXICVAJURFBLW-VCDBXAJLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester (CHEBI:94503) is a isopropyl ester (CHEBI:35725) |
| 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester (CHEBI:94503) is a prostanoid (CHEBI:26347) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5285 | LINCS |