In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](P-18:1(11Z)/31:0)
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08039BC8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1190.713984
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
DAYCPNLDMQRJGT-GJVMQVLRSA-N
InChi (Click to copy)
InChI=1S/C58H113O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-52(59)73-51(49-71-48-46-44-42-40-38-36-34-20-18-16-14-12-10-8-6-4-2)50-72-79(69,70)76-58-54(61)56(74-77(63,64)65)53(60)57(55(58)62)75-78(66,67)68/h14,16,46,48,51,53-58,60-62H,3-13,15,17-45,47,49-50H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b16-14-,48-46-/t51-,53?,54?,55?,56-,57?,58-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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\CCCCCCCC/C=C\CCCCCC