In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](29:0/20:2(11Z,14Z))
Systematic Name
1-nonacosanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019PJ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1204.693249
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
NZLZKGQFAOTSPI-KOAISARESA-N
InChi (Click to copy)
InChI=1S/C58H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-51(59)72-48-50(74-52(60)47-45-43-41-39-37-35-33-30-20-18-16-14-12-10-8-6-4-2)49-73-80(70,71)77-56-53(61)54(62)57(75-78(64,65)66)58(55(56)63)76-79(67,68)69/h12,14,18,20,50,53-58,61-63H,3-11,13,15-17,19,21-49H2,1-2H3,(H,70,71)(H2,64,65,66)(H2,67,68,69)/b14-12-,20-18-/t50-,53?,54+,55?,56-,57?,58?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O