EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H32O6 |
| Net Charge | 0 |
| Average Mass | 368.470 |
| Monoisotopic Mass | 368.21989 |
| SMILES | CCCCC[C@H](O)/C=C/[C@H]1[C@H](CC2OC2CCCC(=O)O)C(=O)C[C@@H]1O |
| InChI | InChI=1S/C20H32O6/c1-2-3-4-6-13(21)9-10-14-15(17(23)12-16(14)22)11-19-18(26-19)7-5-8-20(24)25/h9-10,13-16,18-19,21-22H,2-8,11-12H2,1H3,(H,24,25)/b10-9+/t13-,14-,15-,16-,18?,19?/m0/s1 |
| InChIKey | CBOBGOJUDRNUHE-HHECASJMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5(6)-Epoxy Prostaglandin E1 (CHEBI:175746) is a prostanoid (CHEBI:26347) |
| IUPAC Name |
|---|
| 4-[3-[[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]methyl]oxiran-2-yl]butanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0012110 | HMDB |
| 35032400 | ChemSpider |
| LMFA03020068 | LIPID MAPS |