In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019LJ3 |
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Common Name | PIP2[4',5'](16:1(9Z)/11:0) |
Systematic Name | 1-(9Z-hexadecenoyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate |
Synonyms | PIP2[4',5'](27:1); PIP2(11:0_16:1) |
Exact Mass | |
Formula | C36H69O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | SPWJMGOUFNODHZ-BRXZVNCXSA-N |
InChI | InChI=1S/C36H69O19P3/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-29(37)50-26-28(52- 30(38)25-23-21-18-12-10-8-6-4-2)27-51-58(48,49)55-34-31(39)32(40)35(53-56(42,43) 44)36(33(34)41)54-57(45,46)47/h13-14,28,31-36,39-41H,3-12,15-27H2,1-2H3,(H,48,49 )(H2,42,43,44)(H2,45,46,47)/b14-13-/t28-,31?,32+,33?,34-,35?,36?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)( O)O)C1O)COC(CCCCCCC/C=C\CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |