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CHEBI:192191 - PIP(18:0/18:3(9Z,12Z,15Z))
| Formula | C45H82O16P2 |
| Net Charge | 0 |
| Average Mass | 941.083 |
| Monoisotopic Mass | 940.50781 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O |
| InChI | InChI=1S/C45H82O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h6,8,12,14,18,20,37,40-45,48-51H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41?,42?,43?,44-,45+/m1/s1 |
| InChIKey | KFWDHEJMINKGBX-CFVBTEIUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Marine plankton environmental sample (ncbitaxon:632957) | - | MetaboLights (MTBLS4424) | Found in endometabolome. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PIP(18:0/18:3(9Z,12Z,15Z)) (CHEBI:192191) is a glycerophosphoinositol phosphate (CHEBI:35771) |
| IUPAC Name |
|---|
| [(2R)-3-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 24767834 | ChemSpider |
| HMDB0009953 | HMDB |