In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](31:0/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-hentriacontanoyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019POW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1228.693249
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
BOVQZJSWFKVJFL-JORUFPIQSA-N
InChi (Click to copy)
InChI=1S/C60H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-53(61)74-50-52(76-54(62)49-47-45-43-41-39-37-35-32-20-18-16-14-12-10-8-6-4-2)51-75-82(72,73)79-58-55(63)56(64)59(77-80(66,67)68)60(57(58)65)78-81(69,70)71/h14,16,18,20,35,37,41,43,52,55-60,63-65H,3-13,15,17,19,21-34,36,38-40,42,44-51H2,1-2H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/b16-14+,20-18-,37-35-,43-41-/t52-,55?,56+,57?,58-,59?,60?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O