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CHEBI:91137 - 17(R)-HDoHE
| Formula | C22H32O3 |
| Net Charge | 0 |
| Average Mass | 344.495 |
| Monoisotopic Mass | 344.23514 |
| SMILES | CC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O |
| InChI | InChI=1S/C22H32O3/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/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1 |
| InChIKey | SWTYBBUBEPPYCX-NGHKTGSUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (12391014) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (12391014) |
| 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. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). 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) |
| 17(R)-HDoHE (CHEBI:91137) has role human xenobiotic metabolite (CHEBI:76967) |
| 17(R)-HDoHE (CHEBI:91137) has role mouse metabolite (CHEBI:75771) |
| 17(R)-HDoHE (CHEBI:91137) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) |
| 17(R)-HDoHE (CHEBI:91137) is conjugate acid of 17(R)-HDoHE(1−) (CHEBI:90814) |
| 17(R)-HDoHE (CHEBI:91137) is enantiomer of 17(S)-HDoHE (CHEBI:138640) |
| Incoming Relation(s) |
| 17(R)-HDoHE(1−) (CHEBI:90814) is conjugate base of 17(R)-HDoHE (CHEBI:91137) |
| 17(S)-HDoHE (CHEBI:138640) is enantiomer of 17(R)-HDoHE (CHEBI:91137) |
| IUPAC Name |
|---|
| (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid |
| Synonyms | Source |
|---|---|
| 17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid | LIPID MAPS |
| 17R-HDHA | LIPID MAPS |
| (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosahexaenoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA04000072 | LIPID MAPS |
| CPD-17452 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:14339387 | Reaxys |
| Citations |
|---|