In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-18:1(11Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(11Z-octadecenyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ANF
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-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
HUOWCBYDPXWNNE-IXOYSVSTSA-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/h5,7,11,13-14,16,19,21-23,26,28,32,34,42,44-49,51-53H,3-4,6,8-10,12,15,17-18,20,24-25,27,29-31,33,35-41H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b7-5-,13-11-,16-14-,21-19+,23-22-,28-26-,34-32-/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\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCC