EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:91218 - (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid
| Formula | C18H32O5 |
| Net Charge | 0 |
| Average Mass | 328.449 |
| Monoisotopic Mass | 328.22497 |
| SMILES | CC/C=C\CC(O)C(O)/C=C/C(O)CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+ |
| InChIKey | MKYUCBXUUSZMQB-MKZMYESJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | |||
| root (BTO:0001188) | MetaboLights (MTBLS160) | ||
| root (BTO:0001188) | PubMed (25457500) | ||
| Corchorus olitorius (ncbitaxon:93759) | leaf (BTO:0000713) | PubMed (9658577) | |
| Malva sylvestris (ncbitaxon:145754) | - | PubMed (19731587) |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. 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) |
| (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) has role antifungal agent (CHEBI:35718) |
| (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) has role antioxidant (CHEBI:22586) |
| (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) has role plant metabolite (CHEBI:76924) |
| (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a hydroxy polyunsaturated fatty acid (CHEBI:140345) |
| (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a long-chain fatty acid (CHEBI:15904) |
| (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a octadecanoid (CHEBI:36326) |
| (10E,15Z)-9,12,13-trihydroxy-10,15-octadecadienoic acid (CHEBI:91218) is a oxylipin (CHEBI:61121) |
| IUPAC Name |
|---|
| (10E,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid |
| Synonyms | Source |
|---|---|
| 9,12,13-trihydroxy-10(E),15(Z)-octadecadienoic acid | ChEBI |
| Corchorifatty acid F | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035919 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2287207 | Reaxys |
| CAS:95341-44-9 | HMDB |
| Citations |
|---|