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CHEBI:72645 - 12-HEPE
| Formula | C20H30O3 |
| Net Charge | 0 |
| Average Mass | 318.457 |
| Monoisotopic Mass | 318.21949 |
| SMILES | CC/C=C\C/C=C\CC(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+ |
| InChIKey | MCRJLMXYVFDXLS-QGQBRVLBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS143) |
| 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: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12-HEPE (CHEBI:72645) has role mouse metabolite (CHEBI:75771) |
| 12-HEPE (CHEBI:72645) is a HEPE (CHEBI:72799) |
| 12-HEPE (CHEBI:72645) is conjugate acid of 12-HEPE(1−) (CHEBI:133303) |
| Incoming Relation(s) |
| 12(S)-HEPE (CHEBI:88345) is a 12-HEPE (CHEBI:72645) |
| 12-HEPE(1−) (CHEBI:133303) is conjugate base of 12-HEPE (CHEBI:72645) |
| IUPAC Name |
|---|
| (5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid |
| Synonyms | Source |
|---|---|
| (±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid | LIPID MAPS |
| (±)-12-HEPE | LIPID MAPS |
| 12-hydroxyicosa-(5Z,8Z,10E,14Z,17Z)-pentaenoic acid | HMDB |
| (5Z,8Z,10E,14Z,17Z)-12-hydroxyeicosa-5,8,10,14,17-pentaenoic acid | ChEBI |
| 12-hydroxy-5Z,8Z,10E,14Z,17Z-icosapentaenoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA03070031 | LIPID MAPS |
| HMDB0010202 | HMDB |
| Citations |
|---|