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CHEBI:88359 - 5(S)-HETrE
| Formula | C20H34O3 |
| Net Charge | 0 |
| Average Mass | 322.489 |
| Monoisotopic Mass | 322.25079 |
| SMILES | CCCCCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O |
| InChI | InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1 |
| InChIKey | LSADDRSUZRRBAN-FDSUASFTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | MetaboLights (MTBLS253) |
| 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: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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) |
| 5(S)-HETrE (CHEBI:88359) has role human xenobiotic metabolite (CHEBI:76967) |
| 5(S)-HETrE (CHEBI:88359) is a 5-HETrE (CHEBI:72856) |
| Incoming Relation(s) |
| 5(S)-HETrE(1-) (CHEBI:747160) is conjugate base of 5(S)-HETrE (CHEBI:88359) |
| IUPAC Name |
|---|
| (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid |
| Synonyms | Source |
|---|---|
| (5S,6E,8Z,11Z)-5-hydroxyeicosatrienoic acid | ChEBI |
| (5S,6E,8Z,11Z)-5-hydroxyicosatrienoic acid | ChEBI |
| 5S-HETrE | LIPID MAPS |
| 5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMFA03050005 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:14529493 | Reaxys |
| Citations |
|---|