EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30O5 |
| Net Charge | 0 |
| Average Mass | 350.455 |
| Monoisotopic Mass | 350.20932 |
| SMILES | [H][C@]12C[C@]([H])(O1)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/[C@@H](O)C/C=C\CC)O2 |
| InChI | InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h3-4,6-7,12-13,15-18,20-21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1 |
| InChIKey | NMZKLLJQNNTBRJ-OIXZZONUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TXA3 (CHEBI:165349) is a thromboxane (CHEBI:26995) |
| IUPAC Name |
|---|
| (Z)-7-[(1S,3R,4S,5S)-3-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 4446263 | ChemSpider |
| LMFA03030005 | LIPID MAPS |