EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H34O6 |
| Net Charge | 0 |
| Average Mass | 370.486 |
| Monoisotopic Mass | 370.23554 |
| SMILES | O=C(O)CCC/C=C\CC(O)/C=C/C(O)[C@H](O)C/C=C\CCCCCO |
| InChI | InChI=1S/C20H34O6/c21-16-10-6-2-1-3-8-12-18(23)19(24)15-14-17(22)11-7-4-5-9-13-20(25)26/h3-4,7-8,14-15,17-19,21-24H,1-2,5-6,9-13,16H2,(H,25,26)/b7-4-,8-3-,15-14+/t17?,18-,19?/m1/s1 |
| InChIKey | ZPPVESFLJWNSHL-OFZLGVHBSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid (CHEBI:83782) has functional parent (5Z,9E,14Z)-icosa-5,9,14-trienoic acid (CHEBI:36037) |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid (CHEBI:83782) has role human metabolite (CHEBI:77746) |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid (CHEBI:83782) is a hydroxy polyunsaturated fatty acid (CHEBI:140345) |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid (CHEBI:83782) is a icosanoid (CHEBI:23899) |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid (CHEBI:83782) is a long-chain fatty acid (CHEBI:15904) |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid (CHEBI:83782) is a straight-chain fatty acid (CHEBI:59202) |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid (CHEBI:83782) is a trienoic fatty acid (CHEBI:73155) |
| IUPAC Name |
|---|
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid |
| Synonyms | Source |
|---|---|
| 20-hydroxytrioxilin A3 | ChEBI |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid | ChEBI |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosatrienoic acid | ChEBI |
| (5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyeicosatrienoic acid | ChEBI |