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CHEBI:190205 - PIP2(18:2/18:2)
| Formula | C45H81O19P3 |
| Net Charge | 0 |
| Average Mass | 1019.046 |
| Monoisotopic Mass | 1018.45849 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h11-14,17-20,37,40-45,48-50H,3-10,15-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b13-11-,14-12-,19-17-,20-18-/t37-,40?,41?,42?,43+,44?,45+/m1/s1 |
| InChIKey | ODXZZSHJUFXCGG-WPUDIAAVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Canis lupus (ncbitaxon:9612) | liver (BTO:0000759) | MetaboLights (MTBLS4015) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PIP2(18:2/18:2) (CHEBI:190205) is a phosphatidylinositol bisphosphate (CHEBI:37328) |
| IUPAC Name |
|---|
| [(2R)-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
| Manual Xrefs | Databases |
|---|---|
| C00626 | KEGG COMPOUND |
| 24767979 | ChemSpider |
| HMDB0010102 | HMDB |