EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H26O3 |
| Net Charge | 0 |
| Average Mass | 290.403 |
| Monoisotopic Mass | 290.18819 |
| SMILES | CCCCCCCCC#CC#CC1OC1CCCC(=O)O |
| InChI | InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h16-17H,2-8,12,14-15H2,1H3,(H,19,20) |
| InChIKey | XLDNBXDVNANPCY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,6-Epoxyoctadeca-7,9-diynoic acid (CHEBI:184540) is a epoxy fatty acid (CHEBI:61498) |
| IUPAC Name |
|---|
| 4-(3-dodeca-1,3-diynyloxiran-2-yl)butanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 24700173 | ChemSpider |
| LMFA01070030 | LIPID MAPS |