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CHEBI:34450 - 5,6-EET
| Formula | C20H32O3 |
| Net Charge | 0 |
| Average Mass | 320.473 |
| Monoisotopic Mass | 320.23514 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)O |
| InChI | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12- |
| InChIKey | VBQNSZQZRAGRIX-QNEBEIHSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| 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: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | anti-inflammatory drug A substance that reduces or suppresses inflammation. platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,6-EET (CHEBI:34450) has role mouse metabolite (CHEBI:75771) |
| 5,6-EET (CHEBI:34450) is a EET (CHEBI:64007) |
| 5,6-EET (CHEBI:34450) is conjugate acid of 5,6-EET(1−) (CHEBI:131992) |
| Incoming Relation(s) |
| N-[(8Z,11Z,14Z)-5,6-epoxyicosatrienoyl]ethanolamine (CHEBI:136988) has functional parent 5,6-EET (CHEBI:34450) |
| 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA (CHEBI:137107) has functional parent 5,6-EET (CHEBI:34450) |
| 5,6-EET(1−) (CHEBI:131992) is conjugate base of 5,6-EET (CHEBI:34450) |
| IUPAC Name |
|---|
| 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoic acid |
| Synonyms | Source |
|---|---|
| 5,6-EET | KEGG COMPOUND |
| (8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid | KEGG COMPOUND |
| (8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid | KEGG COMPOUND |
| (+/-)5,6-EpETrE | LIPID MAPS |
| 5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid | LIPID MAPS |
| 5,6-EpETrE | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C14768 | KEGG COMPOUND |
| LMFA03080002 | LIPID MAPS |
| HMDB0002190 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4498036 | Reaxys |
| CAS:81246-84-6 | HMDB |