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CHEBI:38299 - vernolic acid
| Formula | C18H32O3 |
| Net Charge | 0 |
| Average Mass | 296.451 |
| Monoisotopic Mass | 296.23514 |
| SMILES | CCCCCC1OC1C/C=C\CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8- |
| InChIKey | CCPPLLJZDQAOHD-FLIBITNWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Vernonia galamensis (ncbitaxon:83960) | seed (BTO:0001226) | PubMed (9930408) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vernolic acid (CHEBI:38299) has functional parent octadec-9-enoic acid (CHEBI:36021) |
| vernolic acid (CHEBI:38299) has role plant metabolite (CHEBI:76924) |
| vernolic acid (CHEBI:38299) is a epoxy fatty acid (CHEBI:61498) |
| vernolic acid (CHEBI:38299) is a epoxyoctadecenoic acid (CHEBI:72659) |
| vernolic acid (CHEBI:38299) is a long-chain fatty acid (CHEBI:15904) |
| vernolic acid (CHEBI:38299) is a monounsaturated fatty acid (CHEBI:25413) |
| vernolic acid (CHEBI:38299) is conjugate acid of vernolate (CHEBI:84026) |
| Incoming Relation(s) |
| (+)-vernolic acid (CHEBI:27706) is a vernolic acid (CHEBI:38299) |
| (−)-vernolic acid (CHEBI:38300) is a vernolic acid (CHEBI:38299) |
| vernolate (CHEBI:84026) is conjugate base of vernolic acid (CHEBI:38299) |
| IUPAC Name |
|---|
| (9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid |
| Synonyms | Source |
|---|---|
| (9Z)-12,13-epoxyoctadecenoic acid | ChEBI |
| 12,13-epoxy-9(Z)-octadecenoic acid | ChEBI |
| 12,13-cis-epoxyoctadecenoic acid | ChEBI |
| 12,13-epoxy-cis-9-octadecenoic acid | ChEBI |
| cis-12,13-epoxy-9-octadecenoic acid | ChEBI |
| 12,13-monoepoxy-cis-9-octadecenoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA02000038 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1430549 | Reaxys |
| Citations |
|---|