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CHEBI:140194 - (7S,14S)-dihydroxy-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid
| Formula | C22H32O4 |
| Net Charge | 0 |
| Average Mass | 360.494 |
| Monoisotopic Mass | 360.23006 |
| SMILES | CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)O |
| InChI | InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7-,10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1 |
| InChIKey | HLHYXXBCQOUTGK-VDBKHXQVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (19103881) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7S,14S)-dihydroxy-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140194) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) |
| (7S,14S)-dihydroxy-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140194) has role human xenobiotic metabolite (CHEBI:76967) |
| (7S,14S)-dihydroxy-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140194) is a dihydroxydocosahexaenoic acid (CHEBI:137348) |
| (7S,14S)-dihydroxy-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140194) is a secondary allylic alcohol (CHEBI:134396) |
| IUPAC Name |
|---|
| (4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid |
| Synonym | Source |
|---|---|
| 7(S),14(S)-diHDHA | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20137087 | Reaxys |
| Citations |
|---|