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CHEBI:133381 - 9,10-epoxy-18-hydroxyoctadecanoic acid
| Formula | C18H34O4 |
| Net Charge | 0 |
| Average Mass | 314.466 |
| Monoisotopic Mass | 314.24571 |
| SMILES | O=C(O)CCCCCCCC1OC1CCCCCCCCO |
| InChI | InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21) |
| InChIKey | ITTPZDMHCNGAGQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Glycine max (ncbitaxon:3847) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS117) | ||
| seed (BTO:0001226) | MetaboLights (MTBLS118) | ||
| seed (BTO:0001226) | PubMed (25369450) | ||
| Vaccinium vitis-idaea (ncbitaxon:180772) | fruit (BTO:0000486) | PubMed (16417304) | |
| Triticum aestivum (ncbitaxon:4565) | leaf (BTO:0000713) | PubMed (24197199) | |
| Diospyros kaki (ncbitaxon:35925) | fruit (BTO:0000486) | PubMed (24086493) | |
| Hippophae rhamnoides (ncbitaxon:193516) | fruit (BTO:0000486) | PubMed (16417304) | |
| Vaccinium myrtillus (ncbitaxon:180763) | fruit (BTO:0000486) | PubMed (16417304) | |
| Vaccinium oxycoccos (ncbitaxon:516948) | fruit (BTO:0000486) | PubMed (16417304) | |
| Camellia sinensis (ncbitaxon:4442) | leaf (BTO:0000713) | PubMed (23265489) | |
| Clivia miniata (ncbitaxon:16049) | leaf (BTO:0000713) | PubMed (24221429) | |
| Ribes nigrum (ncbitaxon:78511) | fruit (BTO:0000486) | PubMed (16417304) | |
| Apis cerana (ncbitaxon:7461) | - | MetaboLights (MTBLS379) |
| 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-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) has functional parent 9,10-epoxyoctadecanoic acid (CHEBI:85661) |
| 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) has role plant metabolite (CHEBI:76924) |
| 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) is a epoxy fatty acid (CHEBI:61498) |
| 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) is a hydroxyoctadecanoic acid (CHEBI:24747) |
| 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997) |
| 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) is conjugate acid of 9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) |
| Incoming Relation(s) |
| (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138258) is a 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) |
| (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:138255) is a 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) |
| 9,10-epoxy-18-hydroxyoctadecanoate (CHEBI:137457) is conjugate base of 9,10-epoxy-18-hydroxyoctadecanoic acid (CHEBI:133381) |
| IUPAC Name |
|---|
| 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid |
| Synonym | Source |
|---|---|
| 9,10-epoxy-18-hydroxystearic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 7994062 | ChemSpider |
| C19620 | KEGG COMPOUND |
| C19620 | KEGG COMPOUND |
| 910-EPOXY-18-HYDROXYSTEARATE | MetaCyc |
| US6768016 | Patent |
| US2003109727 | Patent |
| US6392070 | Patent |
| WO0110885 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11064135 | Reaxys |
| Citations |
|---|