EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:132325 - 21-HDoHE
| Formula | C22H32O3 |
| Net Charge | 0 |
| Average Mass | 344.495 |
| Monoisotopic Mass | 344.23514 |
| SMILES | CC(O)/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O |
| InChI | InChI=1S/C22H32O3/c1-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22(24)25/h2,4-5,7-8,10-11,13-14,16-17,19,21,23H,3,6,9,12,15,18,20H2,1H3,(H,24,25)/b4-2-,7-5-,10-8-,13-11-,16-14-,19-17- |
| InChIKey | IXAMNXQQWDOFMN-NZONWQNASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (20506249) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (18577768) |
| 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. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 21-HDoHE (CHEBI:132325) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) |
| 21-HDoHE (CHEBI:132325) has role human xenobiotic metabolite (CHEBI:76967) |
| 21-HDoHE (CHEBI:132325) has role mouse metabolite (CHEBI:75771) |
| 21-HDoHE (CHEBI:132325) is a (ω−1)-hydroxy fatty acid (CHEBI:78954) |
| 21-HDoHE (CHEBI:132325) is a hydroxydocosahexaenoic acid (CHEBI:72790) |
| 21-HDoHE (CHEBI:132325) is conjugate acid of 21-HDoHE(1−) (CHEBI:132025) |
| Incoming Relation(s) |
| 21-HDoHE(1−) (CHEBI:132025) is conjugate base of 21-HDoHE (CHEBI:132325) |
| IUPAC Name |
|---|
| (4Z,7Z,10Z,13Z,16Z,19Z)-21-hydroxydocosa-4,7,10,13,16,19-hexaenoic acid |
| Synonyms | Source |
|---|---|
| (4Z,7Z,10Z,13Z,16Z,19Z)-21-hydroxydocosahexaenoic acid | ChEBI |
| 21-HDHA | ChEBI |
| 21-hydroxy-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:29189588 | Reaxys |
| Citations |
|---|