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CHEBI:72647 - 14-HDoHE
| Formula | C22H32O3 |
| Net Charge | 0 |
| Average Mass | 344.495 |
| Monoisotopic Mass | 344.23514 |
| SMILES | CC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O |
| InChI | InChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+ |
| InChIKey | ZNEBXONKCYFJAF-BGKMTWLOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (25586183) |
| 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: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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) |
| 14-HDoHE (CHEBI:72647) has role human xenobiotic metabolite (CHEBI:76967) |
| 14-HDoHE (CHEBI:72647) is a hydroxydocosahexaenoic acid (CHEBI:72790) |
| 14-HDoHE (CHEBI:72647) is a secondary allylic alcohol (CHEBI:134396) |
| 14-HDoHE (CHEBI:72647) is conjugate acid of 14-HDoHE(1−) (CHEBI:90866) |
| Incoming Relation(s) |
| (14R)-HDoHE (CHEBI:137346) is a 14-HDoHE (CHEBI:72647) |
| (14S)-HDoHE (CHEBI:137347) is a 14-HDoHE (CHEBI:72647) |
| 14-HDoHE(1−) (CHEBI:90866) is conjugate base of 14-HDoHE (CHEBI:72647) |
| IUPAC Name |
|---|
| (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid |
| Synonyms | Source |
|---|---|
| (+/-)-14-HDoHE | LIPID MAPS |
| (+/-)-14-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMFA04000030 | LIPID MAPS |
| Citations |
|---|