In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08039AK2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1054.494884
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
FLSICMHESJKAQA-OHRZLITESA-N
InChi (Click to copy)
InChI=1S/C49H85O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(50)64-42(40-62-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2)41-63-70(60,61)67-47-44(51)45(52)48(65-68(54,55)56)49(46(47)53)66-69(57,58)59/h11,13-14,16-17,19,22-23,26,28,32,34,37,39,42,44-49,51-53H,3-10,12,15,18,20-21,24-25,27,29-31,33,35-36,38,40-41H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b13-11-,16-14-,19-17-,23-22-,28-26-,34-32-,39-37-/t42-,44?,45?,46?,47+,48?,49+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCC/C=C\CCCCCC