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CHEBI:133325 - 9,10,18-trihydroxyoctadecanoic acid
| Formula | C18H36O5 |
| Net Charge | 0 |
| Average Mass | 332.481 |
| Monoisotopic Mass | 332.25627 |
| SMILES | O=C(O)CCCCCCCC(O)C(O)CCCCCCCCO |
| InChI | InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23) |
| InChIKey | OISFHODBOQNZAG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hippophae rhamnoides (ncbitaxon:193516) | fruit (BTO:0000486) | PubMed (16417304) | |
| Ribes nigrum (ncbitaxon:78511) | fruit (BTO:0000486) | PubMed (16417304) | |
| Malus pumila (ncbitaxon:283210) | fruit (BTO:0000486) | PubMed (240326) | |
| Vaccinium oxycoccos (ncbitaxon:516948) | fruit (BTO:0000486) | PubMed (16417304) | |
| Glycine max (ncbitaxon:3847) | |||
| - | MetaboLights (MTBLS117) | ||
| - | MetaboLights (MTBLS118) | ||
| - | PubMed (25369450) | ||
| Clivia miniata (ncbitaxon:16049) | leaf (BTO:0000713) | PubMed (24221429) | |
| Vicia sativa (ncbitaxon:3908) | - | PubMed (1567426) | |
| Vaccinium myrtillus (ncbitaxon:180763) | fruit (BTO:0000486) | PubMed (16417304) | |
| Prunus avium (ncbitaxon:42229) | fruit (BTO:0000486) | PubMed (17328933) | |
| Triticum aestivum (ncbitaxon:4565) | leaf (BTO:0000713) | PubMed (24197199) | |
| Vaccinium vitis-idaea (ncbitaxon:180772) | fruit (BTO:0000486) | PubMed (16417304) | |
| Diospyros kaki (ncbitaxon:35925) | fruit (BTO:0000486) | PubMed (24086493) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) has role plant metabolite (CHEBI:76924) |
| 9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) is a hydroxyoctadecanoic acid (CHEBI:24747) |
| 9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) is a triol (CHEBI:27136) |
| 9,10,18-trihydroxyoctadecanoic acid (CHEBI:133325) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997) |
| IUPAC Name |
|---|
| 9,10,18-trihydroxyoctadecanoic acid |
| Synonyms | Source |
|---|---|
| 9,10,18-trihydroxystearic acid | ChEBI |
| 9,10,18-trihydroxy-octadecanoic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMFA02000147 | LIPID MAPS |
| C19621 | KEGG COMPOUND |
| 24784821 | ChemSpider |
| C00034431 | KNApSAcK |
| US6768016 | Patent |
| US2003109727 | Patent |
| US6815553 | Patent |
| US2005158414 | Patent |
| EP1206481 | Patent |
| WO0110885 | Patent |
| US2002070167 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1798791 | Reaxys |
| CAS:496-86-6 | KNApSAcK |
| Citations |
|---|