In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(11Z,14Z-eicosadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019NIJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1070.489799
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
WDCNYCVSMJATMO-WQTSDASQSA-N
InChi (Click to copy)
InChI=1S/C49H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h11-14,17-20,24,26,30,32,41,44-49,52-54H,3-10,15-16,21-23,25,27-29,31,33-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-,44?,45+,46?,47-,48?,49?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/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(CCCCCCCCC/C=C\C/C=C\CCCCC)=O