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CHEBI:138190 - (6E,8Z,11Z)-5-oxoicosatrienoic acid
| Formula | C20H32O3 |
| Net Charge | 0 |
| Average Mass | 320.473 |
| Monoisotopic Mass | 320.23514 |
| SMILES | CCCCCCCC/C=C\C/C=C\C=C\C(=O)CCCC(=O)O |
| InChI | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+ |
| InChIKey | ULMVEQWNDGUUBR-SRMUOKRHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (19450703) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6E,8Z,11Z)-5-oxoicosatrienoic acid (CHEBI:138190) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865) |
| (6E,8Z,11Z)-5-oxoicosatrienoic acid (CHEBI:138190) has role human xenobiotic metabolite (CHEBI:76967) |
| (6E,8Z,11Z)-5-oxoicosatrienoic acid (CHEBI:138190) is a long-chain fatty acid (CHEBI:15904) |
| (6E,8Z,11Z)-5-oxoicosatrienoic acid (CHEBI:138190) is a oxo fatty acid (CHEBI:59644) |
| (6E,8Z,11Z)-5-oxoicosatrienoic acid (CHEBI:138190) is a trienoic fatty acid (CHEBI:73155) |
| (6E,8Z,11Z)-5-oxoicosatrienoic acid (CHEBI:138190) is conjugate acid of 5-oxo-ETrE(1−) (CHEBI:137641) |
| Incoming Relation(s) |
| 5-oxo-ETrE(1−) (CHEBI:137641) is conjugate base of (6E,8Z,11Z)-5-oxoicosatrienoic acid (CHEBI:138190) |
| IUPAC Name |
|---|
| (6E,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid |
| Synonyms | Source |
|---|---|
| 5-oxo-ETrE | ChEBI |
| 5-oxo-C20:3 | ChEBI |
| 5-keto-ETrE | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:15801997 | Reaxys |
| Citations |
|---|