EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:137346 - (14R)-HDoHE
| Formula | C22H32O3 |
| Net Charge | 0 |
| Average Mass | 344.495 |
| Monoisotopic Mass | 344.23514 |
| SMILES | CC/C=C\C/C=C\C[C@@H](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+/t21-/m1/s1 |
| InChIKey | ZNEBXONKCYFJAF-MBRSJONVSA-N |
| 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). 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. 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) |
| (14R)-HDoHE (CHEBI:137346) is a 14-HDoHE (CHEBI:72647) |
| (14R)-HDoHE (CHEBI:137346) is conjugate acid of (14R)-HDoHE(1−) (CHEBI:136525) |
| (14R)-HDoHE (CHEBI:137346) is enantiomer of (14S)-HDoHE (CHEBI:137347) |
| Incoming Relation(s) |
| (14R)-HDoHE(1−) (CHEBI:136525) is conjugate base of (14R)-HDoHE (CHEBI:137346) |
| (14S)-HDoHE (CHEBI:137347) is enantiomer of (14R)-HDoHE (CHEBI:137346) |
| IUPAC Name |
|---|
| (4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid |
| Synonyms | Source |
|---|---|
| 14(R)-HDoHE | ChEBI |
| (14R)-HDHA | ChEBI |
| (4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosahexaenoic acid | ChEBI |
| (14R)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid | ChEBI |
| 14(R)-HDHA | SUBMITTER |
| Registry Numbers | Sources |
|---|---|
| Reaxys:27627498 | Reaxys |
| Citations |
|---|