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CHEBI:138281 - 16-oxoresolvin D2
| Formula | C22H30O5 |
| Net Charge | 0 |
| Average Mass | 374.477 |
| Monoisotopic Mass | 374.20932 |
| SMILES | CC/C=C\C[C@H](O)C(=O)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CCC(=O)O |
| InChI | InChI=1S/C22H30O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-20,23-24H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+/m1/s1 |
| InChIKey | CTWAHHIYDLSAPS-UHJGEWICSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (22844113) |
| 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. specialised pro-resolving mediator A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation. |
| Application: | specialised pro-resolving mediator A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16-oxoresolvin D2 (CHEBI:138281) has role human xenobiotic metabolite (CHEBI:76967) |
| 16-oxoresolvin D2 (CHEBI:138281) is a diol (CHEBI:23824) |
| 16-oxoresolvin D2 (CHEBI:138281) is a enone (CHEBI:51689) |
| 16-oxoresolvin D2 (CHEBI:138281) is a hydroxy polyunsaturated fatty acid (CHEBI:140345) |
| 16-oxoresolvin D2 (CHEBI:138281) is a oxo fatty acid (CHEBI:59644) |
| 16-oxoresolvin D2 (CHEBI:138281) is a resolvin (CHEBI:132120) |
| 16-oxoresolvin D2 (CHEBI:138281) is a secondary allylic alcohol (CHEBI:134396) |
| 16-oxoresolvin D2 (CHEBI:138281) is a secondary α-hydroxy ketone (CHEBI:2468) |
| 16-oxoresolvin D2 (CHEBI:138281) is conjugate acid of 16-oxoresolvin D2(1−) (CHEBI:137498) |
| Incoming Relation(s) |
| 16-oxoresolvin D2(1−) (CHEBI:137498) is conjugate base of 16-oxoresolvin D2 (CHEBI:138281) |
| IUPAC Name |
|---|
| (4Z,7S,8E,10Z,12E,14E,17S,19Z)-7,17-dihydroxy-16-oxodocosa-4,8,10,12,14,19-hexaenoic acid |
| Synonyms | Source |
|---|---|
| 16-oxo-RvD2 | ChEBI |
| (7S,17S)-dihydroxy-16-oxo-(4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid | ChEBI |
| 16-keto-RvD2 | ChEBI |
| 16-ketoresolvin D2 | ChEBI |
| 16-dehydroresolvin D2 | ChEBI |
| 16-dehydro-RvD2 | ChEBI |
| Citations |
|---|