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CHEBI:186339 - PI(22:2(13Z,16Z)/17:2(9Z,12Z))
| Formula | C48H85O13P |
| Net Charge | 0 |
| Average Mass | 901.169 |
| Monoisotopic Mass | 900.57278 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O |
| InChI | InChI=1S/C48H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(49)58-38-40(39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55)60-42(50)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h10-13,16-19,40,43-48,51-55H,3-9,14-15,20-39H2,1-2H3,(H,56,57)/b12-10-,13-11-,18-16-,19-17-/t40-,43?,44-,45?,46?,47?,48?/m1/s1 |
| InChIKey | QEEIVUVFTGXLAH-LXLFHVEVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PI(22:2(13Z,16Z)/17:2(9Z,12Z)) (CHEBI:186339) is a phosphatidylinositol (CHEBI:28874) |
| IUPAC Name |
|---|
| [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| LMGP06010735 | LIPID MAPS |