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CHEBI:80447 - 9(S)-HOTrE
| Formula | C18H30O3 |
| Net Charge | 0 |
| Average Mass | 294.435 |
| Monoisotopic Mass | 294.21949 |
| SMILES | CC/C=C\C/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O |
| InChI | InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1 |
| InChIKey | RIGGEAZDTKMXSI-MEBVTJQTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | - | PubMed (23370715) | |
| Ehretia dicksonii (ncbitaxon:1398146) | - | PubMed (10830513) | |
| Glechoma hederacea (ncbitaxon:28509) | leaf (BTO:0000713) | PubMed (2598926) | |
| Homo sapiens (ncbitaxon:9606) | - | MetaboLights (MTBLS253) | |
| Nicotiana tabacum (ncbitaxon:4097) | - | PubMed (23479199) | |
| Pistia stratiotes (ncbitaxon:4477) | - | PubMed (24258601) | |
| Solanum tuberosum (ncbitaxon:4113) | - | PubMed (12882150) |
| 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). 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: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9(S)-HOTrE (CHEBI:80447) has role plant metabolite (CHEBI:76924) |
| 9(S)-HOTrE (CHEBI:80447) is a 9-HOTrE (CHEBI:72625) |
| Incoming Relation(s) |
| 9(S)-HOTrE(1-) (CHEBI:747158) is conjugate base of 9(S)-HOTrE (CHEBI:80447) |
| IUPAC Name |
|---|
| (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid |
| Synonyms | Source |
|---|---|
| 9-Hydroxy-10,12,15-octadecatrienoic acid | ChemIDplus |
| (9S,10E,12Z,15Z)-9-hydroxyoctadecatrienoic acid | ChEBI |
| 9(S)-HOT | ChEBI |
| 9S-HOTrE | ChEBI |
| (9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C00048303 | KNApSAcK |
| C16326 | KEGG COMPOUND |
| LMFA02000024 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5750403 | Reaxys |
| CAS:89886-42-0 | KNApSAcK |
| CAS:89886-42-0 | ChemIDplus |
| Citations |
|---|