EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:191122 - Pi(18:0/8,9-eet)
| Formula | C47H83O14P |
| Net Charge | 0 |
| Average Mass | 903.141 |
| Monoisotopic Mass | 902.55204 |
| SMILES | CCCCC/C=C\C/C=C\CC1OC1C/C=C\CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O |
| InChI | InChI=1S/C47H83O14P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-29-33-40(48)57-35-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)34-30-26-25-28-32-39-38(60-39)31-27-23-21-19-12-10-8-6-4-2/h12,19,23,25,27-28,37-39,42-47,50-54H,3-11,13-18,20-22,24,26,29-36H2,1-2H3,(H,55,56)/b19-12-,27-23-,28-25- |
| InChIKey | NDOQUEZIKVXCIA-YAQZKPSTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | INS-1 cell (BTO:0002135) | MetaboLights (MTBLS3963) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pi(18:0/8,9-eet) (CHEBI:191122) is a phosphatidylinositol (CHEBI:28874) |
| IUPAC Name |
|---|
| [3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-[(Z)-7-[3-[(2Z,5Z)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoyl]oxypropyl] octadecanoate |