EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28O2 |
| Net Charge | 0 |
| Average Mass | 300.442 |
| Monoisotopic Mass | 300.20893 |
| SMILES | CCCCCC#CCC#CCC#CCCCCCCC(=O)O |
| InChI | InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14-19H2,1H3,(H,21,22) |
| InChIKey | QLLIWTBTVOPGCM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cryptomeria (ncbitaxon:3368) | needle (BTO:0000917) | MetaboLights (MTBLS3183) | Strain: Cryptomeria fortunei Hooibrenk |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8,11,14,18-Eicosatetraynoic acid (CHEBI:192957) is a long-chain fatty acid (CHEBI:15904) |
| IUPAC Name |
|---|
| icosa-8,11,14-triynoic acid |
| Manual Xrefs | Databases |
|---|---|
| 7822554 | ChemSpider |
| LMFA01030692 | LIPID MAPS |