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CHEBI:140238 - (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid
| Formula | C22H30O3 |
| Net Charge | 0 |
| Average Mass | 342.479 |
| Monoisotopic Mass | 342.21949 |
| SMILES | CC/C=C\CC(=O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O |
| InChI | InChI=1S/C22H30O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+ |
| InChIKey | QCEBQMMZCFADMF-VIIQGJSXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (26339618) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | PPARalpha agonist A PPAR modulator which activates the peroxisome proliferator-activated receptor-α. PPARgamma agonist A PPAR modulator which activates the peroxisome proliferator-activated receptor-γ. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) has role anti-inflammatory agent (CHEBI:67079) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) has role antineoplastic agent (CHEBI:35610) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) has role human xenobiotic metabolite (CHEBI:76967) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) has role PPARα agonist (CHEBI:70782) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) has role PPARγ agonist (CHEBI:71554) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) is a enone (CHEBI:51689) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) is a oxodocosahexaenoic acid (CHEBI:134542) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) is conjugate acid of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate (CHEBI:140316) |
| Incoming Relation(s) |
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate (CHEBI:140316) is conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid (CHEBI:140238) |
| IUPAC Name |
|---|
| (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosa-4,7,10,13,15,19-hexaenoic acid |
| Synonyms | Source |
|---|---|
| 17-oxo-DHA | SUBMITTER |
| 17-oxodocosahexaenoic acid | ChEBI |
| 17-oxo-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:26960428 | Reaxys |
| Citations |
|---|