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CHEBI:230688 - PI(18:0/5-iso PGF2VI)
| Formula | C45H81O16P |
| Net Charge | 0 |
| Average Mass | 909.101 |
| Monoisotopic Mass | 908.52622 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](C/C=C\CC(=O)O1)[C@@H](O)C[C@@H](O)[C@H](C=C[C@H](O)CCCCC)[C@@H](O)[C@H]2O |
| InChI | InChI=1S/C45H81O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-38(49)58-30-33-31-59-62(56,57)61-45-43(54)41(52)35(28-27-32(46)23-19-6-4-2)37(48)29-36(47)34(40(51)42(53)44(45)55)24-21-22-26-39(50)60-33/h21-22,27-28,32-37,40-48,51-55H,3-20,23-26,29-31H2,1-2H3,(H,56,57)/b22-21-,28-27?/t32-,33-,34-,35+,36+,37-,40-,41-,42+,43-,44-,45-/m1/s1 |
| InChIKey | YBJIFFJNBSGEOG-GVAGCYOBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PI(18:0/5-iso PGF2VI) (CHEBI:230688) is a glycerophospholipid (CHEBI:37739) |
| IUPAC Name |
|---|
| [(1R,6R,10Z,13R,14S,16R,17S,18R,19R,20R,21S,22R)-3,14,16,18,19,20,21,22-octahydroxy-17-[(3R)-3-hydroxyoct-1-enyl]-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[11.6.3]docos-10-en-6-yl]methyl octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 117229951 | ChemSpider |