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CHEBI:34130 - 11,12-EET
| Formula | C20H32O3 |
| Net Charge | 0 |
| Average Mass | 320.473 |
| Monoisotopic Mass | 320.23514 |
| SMILES | CCCCC/C=C\CC1OC1C/C=C\C/C=C\CCCC(=O)O |
| InChI | InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10- |
| InChIKey | DXOYQVHGIODESM-KROJNAHFSA-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). xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | 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. anti-inflammatory drug A substance that reduces or suppresses inflammation. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11,12-EET (CHEBI:34130) has role mouse metabolite (CHEBI:75771) |
| 11,12-EET (CHEBI:34130) has role xenobiotic metabolite (CHEBI:76206) |
| 11,12-EET (CHEBI:34130) is a EET (CHEBI:64007) |
| 11,12-EET (CHEBI:34130) is conjugate acid of 11,12-EET(1−) (CHEBI:76625) |
| Incoming Relation(s) |
| N-[(5Z,8Z,14Z)-11,12-epoxyicosatrienoyl]ethanolamine (CHEBI:136990) has functional parent 11,12-EET (CHEBI:34130) |
| 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA (CHEBI:137047) has functional parent 11,12-EET (CHEBI:34130) |
| 2-glyceryl 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoate (CHEBI:132119) has functional parent 11,12-EET (CHEBI:34130) |
| (11R,12S)-EET (CHEBI:132277) is a 11,12-EET (CHEBI:34130) |
| (11S,12R)-EET (CHEBI:132276) is a 11,12-EET (CHEBI:34130) |
| 11,12-EET(1−) (CHEBI:76625) is conjugate base of 11,12-EET (CHEBI:34130) |
| IUPAC Name |
|---|
| (5Z,8Z)-10-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid |
| Synonyms | Source |
|---|---|
| 11,12-EET | KEGG COMPOUND |
| (5Z,8Z,14Z)-11,12-Epoxyeicosa-5,8,14-trienoic acid | KEGG COMPOUND |
| (5Z,8Z,14Z)-11,12-Epoxyicosa-5,8,14-trienoic acid | KEGG COMPOUND |
| (+/-)11,12-EpETrE | LIPID MAPS |
| 11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid | LIPID MAPS |
| all-cis-11,12-epoxyeicosa-5,8,11-trienoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C14770 | KEGG COMPOUND |
| LMFA03080004 | LIPID MAPS |
| HMDB0010409 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5067342 | Reaxys |
| CAS:123931-40-8 | SUBMITTER |