EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H30O2 |
| Net Charge | 0 |
| Average Mass | 302.458 |
| Monoisotopic Mass | 302.22458 |
| SMILES | CCCCC/C=C\C/C=C\CC#CC/C=C\CCCC(=O)O |
| InChI | InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,16-15- |
| InChIKey | YETMSTXPNJOICF-URZBRJKDSA-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) |
| 5Z,11Z,14Z-Eicosatrien-8-ynoic acid (CHEBI:192887) is a long-chain fatty acid (CHEBI:15904) |
| IUPAC Name |
|---|
| (5Z,11Z,14Z)-icosa-5,11,14-trien-8-ynoic acid |
| Manual Xrefs | Databases |
|---|---|
| 7822556 | ChemSpider |
| LMFA01030694 | LIPID MAPS |