In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](26:2(5Z,9Z)/14:1(9Z))
Systematic Name
1-(5Z,9Z-hexacosadienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019J0V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1076.536749
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
JBRFJVKSSVIOSG-QCHSJGIHSA-N
InChi (Click to copy)
InChI=1S/C49H91O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-29-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-30-27-14-12-10-8-6-4-2)40-64-71(61,62)68-49-45(53)47(66-69(55,56)57)44(52)48(46(49)54)67-70(58,59)60/h10,12,24-25,29,31,41,44-49,52-54H,3-9,11,13-23,26-28,30,32-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b12-10-,25-24-,31-29-/t41-,44?,45?,46?,47-,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O