EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:132809 - (8S)-hepoxilin A3
| Formula | C20H32O4 |
| Net Charge | 0 |
| Average Mass | 336.472 |
| Monoisotopic Mass | 336.23006 |
| SMILES | [H][C@@]1(/C=C/[C@@H](O)C/C=C\CCCC(=O)O)O[C@@]1([H])C/C=C\CCCCC |
| InChI | InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17-,18-,19-/m0/s1 |
| InChIKey | SGTUOBURCVMACZ-JQGBYENFSA-N |
| 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). |
| Biological Roles: | rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (8S)-hepoxilin A3 (CHEBI:132809) is a hepoxilin A3 (CHEBI:36190) |
| (8S)-hepoxilin A3 (CHEBI:132809) is conjugate acid of (8S)-hepoxilin A3(1−) (CHEBI:132129) |
| Incoming Relation(s) |
| (8S)-hepoxilin A3(1−) (CHEBI:132129) is conjugate base of (8S)-hepoxilin A3 (CHEBI:132809) |
| IUPAC Name |
|---|
| (5Z,8S,9E)-8-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoic acid |
| Synonyms | Source |
|---|---|
| (8S)-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-icosatrienoic acid | ChEBI |
| (8S)-hydroxy-(11S,12S)-hepoxilin A3 | ChEBI |
| (8S)-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-eicosatrienoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3594946 | Reaxys |
| Citations |
|---|