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CHEBI:138135 - (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid
| Formula | C20H32O4 |
| Net Charge | 0 |
| Average Mass | 336.472 |
| Monoisotopic Mass | 336.23006 |
| SMILES | CCCCC[C@@H]1O[C@H]1[C@@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)O |
| InChI | InChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,14-12-/t17-,18-,20-/m0/s1 |
| InChIKey | FMRVHRPEVIVXKX-SRWZPIOTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (8555216) |
| 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) |
| (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138135) has role human metabolite (CHEBI:77746) |
| (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138135) is a 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138146) |
| (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138135) is conjugate acid of (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate (CHEBI:137320) |
| Incoming Relation(s) |
| (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate (CHEBI:137320) is conjugate base of (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138135) |
| IUPAC Name |
|---|
| (5Z,8Z,11Z,13S)-13-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid |
| Synonyms | Source |
|---|---|
| 13-H-14,15-EETA | ChEBI |
| (13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-eicosatrienoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:22075240 | Reaxys |
| Citations |
|---|