In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](P-14:0/26:2(5Z,9Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP07039ALF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1062.557484
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
String Representations
InChiKey (Click to copy)
XDVNKOQBVIQGGB-MJTUZGRJSA-N
InChi (Click to copy)
InChI=1S/C49H93O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-43(50)64-42(40-62-39-37-35-33-31-29-16-14-12-10-8-6-4-2)41-63-70(60,61)67-49-45(52)47(65-68(54,55)56)44(51)48(46(49)53)66-69(57,58)59/h25-26,30,32,37,39,42,44-49,51-53H,3-24,27-29,31,33-36,38,40-41H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b26-25-,32-30-,39-37-/t42-,44?,45?,46?,47-,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCCCCCC