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CHEBI:72651 - 9-HODE
| Formula | C18H32O3 |
| Net Charge | 0 |
| Average Mass | 296.451 |
| Monoisotopic Mass | 296.23514 |
| SMILES | CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+ |
| InChIKey | NPDSHTNEKLQQIJ-ZJHFMPGASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Valeriana fauriei (ncbitaxon:105907) | - | PubMed (22790953) | from ethanolic extract |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (24760997) | |
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS143) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9-HODE (CHEBI:72651) has role human metabolite (CHEBI:77746) |
| 9-HODE (CHEBI:72651) has role mouse metabolite (CHEBI:75771) |
| 9-HODE (CHEBI:72651) has role plant metabolite (CHEBI:76924) |
| 9-HODE (CHEBI:72651) is a HODE (CHEBI:36328) |
| 9-HODE (CHEBI:72651) is a octadecadienoic acid (CHEBI:25627) |
| 9-HODE (CHEBI:72651) is conjugate acid of 9-HODE(1−) (CHEBI:133820) |
| Incoming Relation(s) |
| 9-oxo-ODE (CHEBI:72842) has functional parent 9-HODE (CHEBI:72651) |
| 9(R)-HODE (CHEBI:78730) is a 9-HODE (CHEBI:72651) |
| 9(S)-HODE (CHEBI:34496) is a 9-HODE (CHEBI:72651) |
| 9-HODE(1−) (CHEBI:133820) is conjugate base of 9-HODE (CHEBI:72651) |
| IUPAC Name |
|---|
| (10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid |
| Synonyms | Source |
|---|---|
| 9-hydroxy-trans-10,cis-12-octadecadienoic acid | LIPID MAPS |
| 9-hydroxy-10E,12Z-octadecadienoic acid | LIPID MAPS |
| (10E,12Z)-9-HODE | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA02000151 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1914445 | Reaxys |
| Citations |
|---|