In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-18:1(9Z)/22:0)
Systematic Name
1-(9Z-octadecenyl)-2-docosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CMQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1066.588784
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)
WDAGORSPOAXKHU-IHONTEEYSA-N
InChi (Click to copy)
InChI=1S/C49H97O18P3/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/h18,20,42,44-49,51-53H,3-17,19,21-41H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b20-18-/t42-,44?,45+,46?,47-,48?,49?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCC