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CHEBI:136563 - (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid
| Formula | C22H32O3 |
| Net Charge | 0 |
| Average Mass | 344.495 |
| Monoisotopic Mass | 344.23514 |
| SMILES | CC/C=C\C/C=C\CC1OC1C/C=C\C/C=C\C/C=C\CCC(=O)O |
| InChI | InChI=1S/C22H32O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h3-4,6-7,10-15,20-21H,2,5,8-9,16-19H2,1H3,(H,23,24)/b4-3-,7-6-,13-10-,14-11-,15-12- |
| InChIKey | DCFKVKFLEPMEGT-UQZHZJRSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo Sapiens (ncbitaxon:9606) | - | PubMed (16112640) |
| 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: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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) |
| (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:136563) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) |
| (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:136563) has role human xenobiotic metabolite (CHEBI:76967) |
| (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:136563) is a epoxydocosapentaenoic acid (CHEBI:72654) |
| (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:136563) is conjugate acid of (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoate (CHEBI:133933) |
| Incoming Relation(s) |
| (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoate (CHEBI:133933) is conjugate base of (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid (CHEBI:136563) |
| IUPAC Name |
|---|
| (4Z,7Z,10Z)-12-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-4,7,10-trienoic acid |
| Synonyms | Source |
|---|---|
| 13(14)-EpDPE | LIPID MAPS |
| 13(14)-epoxy-(4Z,7Z,10Z,16Z,19Z)-docosapentaenoic acid | ChEBI |
| 13(14)-EpDoPE | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMFA04000036 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20599772 | Reaxys |
| Citations |
|---|