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CHEBI:88345 - 12(S)-HEPE
| Formula | C20H30O3 |
| Net Charge | 0 |
| Average Mass | 318.457 |
| Monoisotopic Mass | 318.21949 |
| SMILES | CC/C=C\C/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O |
| InChI | InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m0/s1 |
| InChIKey | MCRJLMXYVFDXLS-UOLHMMFFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| - | MetaboLights (MTBLS253) | ||
| - | PubMed (24505438) | ||
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS243) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (24814225) |
| 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: | rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). 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) |
| 12(S)-HEPE (CHEBI:88345) has role human xenobiotic metabolite (CHEBI:76967) |
| 12(S)-HEPE (CHEBI:88345) has role mouse metabolite (CHEBI:75771) |
| 12(S)-HEPE (CHEBI:88345) has role rat metabolite (CHEBI:86264) |
| 12(S)-HEPE (CHEBI:88345) is a 12-HEPE (CHEBI:72645) |
| 12(S)-HEPE (CHEBI:88345) is conjugate acid of 12(S)-HEPE(1−) (CHEBI:195401) |
| Incoming Relation(s) |
| 12(S)-HEPE(1−) (CHEBI:195401) is conjugate base of 12(S)-HEPE (CHEBI:88345) |
| IUPAC Name |
|---|
| (5Z,8Z,10E,12S,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid |
| Synonyms | Source |
|---|---|
| 12S-HEPE | LIPID MAPS |
| 12S-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| LMFA03070008 | LIPID MAPS |
| US4810424 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4454773 | Reaxys |
| CAS:116180-17-7 | ChemIDplus |
| Citations |
|---|