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CHEBI:186059 - PI(22:1(11Z)/18:3(9Z,12Z,15Z))
| Formula | C49H87O13P |
| Net Charge | 0 |
| Average Mass | 915.196 |
| Monoisotopic Mass | 914.58843 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O |
| InChI | InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,23,41,44-49,52-56H,3-5,7,9-11,13,15-17,19,22,24-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,21-20-,23-18-/t41-,44?,45-,46?,47?,48?,49?/m1/s1 |
| InChIKey | VSBPNVJMJSHKRH-LPVCVWSRSA-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(22:1(11Z)/18:3(9Z,12Z,15Z)) (CHEBI:186059) is a phosphatidylinositol (CHEBI:28874) |
| IUPAC Name |
|---|
| [(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-docos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| LMGP06010709 | LIPID MAPS |