In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(9Z,12Z-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019HH2
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)
DKZGVACHDZYJIU-ABCWOQEZSA-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)68-49-45(53)47(66-69(55,56)57)44(52)48(46(49)54)67-70(58,59)60/h11-14,17-19,21-23,26,28,32,34,41,44-49,52-54H,3-10,15-16,20,24-25,27,29-31,33,35-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,34-32-/t41-,44?,45?,46?,47-,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O