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CHEBI:90814 - 17(R)-HDoHE(1−)
| Formula | C22H31O3 |
| Net Charge | -1 |
| Average Mass | 343.487 |
| Monoisotopic Mass | 343.22787 |
| 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)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1 |
| InChIKey | SWTYBBUBEPPYCX-NGHKTGSUSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (12391014) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (12391014) |
| Roles Classification |
|---|
| 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17(R)-HDoHE(1−) (CHEBI:90814) has role human xenobiotic metabolite (CHEBI:76967) |
| 17(R)-HDoHE(1−) (CHEBI:90814) has role mouse metabolite (CHEBI:75771) |
| 17(R)-HDoHE(1−) (CHEBI:90814) is a hydroxy fatty acid anion (CHEBI:59835) |
| 17(R)-HDoHE(1−) (CHEBI:90814) is a hydroxydocosahexaenoate (CHEBI:131867) |
| 17(R)-HDoHE(1−) (CHEBI:90814) is a long-chain fatty acid anion (CHEBI:57560) |
| 17(R)-HDoHE(1−) (CHEBI:90814) is a polyunsaturated fatty acid anion (CHEBI:76567) |
| 17(R)-HDoHE(1−) (CHEBI:90814) is conjugate base of 17(R)-HDoHE (CHEBI:91137) |
| Incoming Relation(s) |
| 17(R)-HDoHE (CHEBI:91137) is conjugate acid of 17(R)-HDoHE(1−) (CHEBI:90814) |
| IUPAC Name |
|---|
| (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoate |
| Synonyms | Source |
|---|---|
| 17R-HDHA(1−) | SUBMITTER |
| (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosahexaenoate | ChEBI |
| UniProt Name | Source |
|---|---|
| 17R-hydroxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-17452 | MetaCyc |
| Citations |
|---|