In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](29:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-nonacosanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019J87
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1226.677599
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
GAKDRZCRKXDWOO-UMRABFIBSA-N
InChi (Click to copy)
InChI=1S/C60H109O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-48-53(61)74-50-52(76-54(62)49-47-45-43-41-39-37-35-33-30-22-20-18-16-14-12-10-8-6-4-2)51-75-82(72,73)79-60-56(64)58(77-80(66,67)68)55(63)59(57(60)65)78-81(69,70)71/h12,14,18,20,30,33,37,39,43,45,52,55-60,63-65H,3-11,13,15-17,19,21-29,31-32,34-36,38,40-42,44,46-51H2,1-2H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/b14-12-,20-18-,33-30-,39-37-,45-43-/t52-,55?,56?,57?,58-,59?,60-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O