EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28O |
| Net Charge | 0 |
| Average Mass | 284.443 |
| Monoisotopic Mass | 284.21402 |
| SMILES | C=C1CCCC(C)(C)/C1=C/C/C(C)=C/C=C\C(C)=C\C=O |
| InChI | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,12-13,15H,3,7,10-11,14H2,1-2,4-5H3/b9-6-,16-8+,17-13+,19-12+ |
| InChIKey | XHBHYZOZHVKBDH-GFSIGSNMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | hTERT-RPE1 cell (BTO:0004790) | MetaboLights (MTBLS682) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11-cis retro-gamma-retinal (CHEBI:191261) is a retinoid (CHEBI:26537) |
| IUPAC Name |
|---|
| (2E,4Z,6E,9Z)-9-(2,2-dimethyl-6-methylidenecyclohexylidene)-3,7-dimethylnona-2,4,6-trienal |
| Manual Xrefs | Databases |
|---|---|
| 17220986 | ChemSpider |
| LMPR01090035 | LIPID MAPS |