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CHEBI:231003 - PG(18:2(9Z,11Z)/6 keto-PGF1alpha)
| Formula | C44H77O14P |
| Net Charge | 0 |
| Average Mass | 861.060 |
| Monoisotopic Mass | 860.50509 |
| SMILES | CCCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O |
| InChI | InChI=1S/C44H77O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-43(51)55-33-38(34-57-59(53,54)56-32-37(48)31-45)58-44(52)26-22-21-24-36(47)29-40-39(41(49)30-42(40)50)28-27-35(46)23-19-6-4-2/h10-13,27-28,35,37-42,45-46,48-50H,3-9,14-26,29-34H2,1-2H3,(H,53,54)/b11-10-,13-12-,28-27+/t35-,37-,38+,39+,40+,41+,42-/m0/s1 |
| InChIKey | HZRPVIQAYYMRRX-DYDOWXRISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PG(18:2(9Z,11Z)/6 keto-PGF1alpha) (CHEBI:231003) is a prostanoid (CHEBI:26347) |
| IUPAC Name |
|---|
| [(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (9Z,11Z)-octadeca-9,11-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0269103 | HMDB |
| 128427513 | ChemSpider |