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CHEBI:230806 - PA(14:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
| Formula | C39H65O10P |
| Net Charge | 0 |
| Average Mass | 724.913 |
| Monoisotopic Mass | 724.43153 |
| SMILES | CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O |
| InChI | InChI=1S/C39H65O10P/c1-3-5-7-8-9-10-11-12-16-19-25-31-38(42)47-33-37(34-48-50(44,45)46)49-39(43)32-26-20-24-30-36(41)29-23-18-15-13-14-17-22-28-35(40)27-21-6-4-2/h6,14-15,17-18,21-24,28-30,35-37,40-41H,3-5,7-13,16,19-20,25-27,31-34H2,1-2H3,(H2,44,45,46)/b17-14-,18-15-,21-6-,28-22+,29-23+,30-24-/t35-,36-,37+/m0/s1 |
| InChIKey | MNJVCHZABOXBPO-RFIDRHGYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PA(14:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (CHEBI:230806) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| [(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoate |
| Manual Xrefs | Databases |
|---|---|
| 117219080 | ChemSpider |
| HMDB0263022 | HMDB |