In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](18:2(2E,4E)/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(2E,4E-octadecadienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019BU7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1068.474149
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
GJYWTQFEOCDHJU-QELYJMBOSA-N
InChi (Click to copy)
InChI=1S/C49H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,21-22,26,28,31,33,35,37,41,44-49,52-54H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-30,32,34,36,38-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b7-5-,13-11-,19-17-,22-21-,28-26-,33-31+,37-35+/t41-,44?,45?,46?,47+,48?,49+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/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)COC(/C=C/C=C/CCCCCCCCCCCCC)=O