In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](20:4(5Z,8Z,11Z,13E)/31:0)
Systematic Name
1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019NW4
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)
UMOADQFEPSFLCN-USXWZULMSA-N
InChi (Click to copy)
InChI=1S/C60H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-54(62)76-52(50-74-53(61)48-46-44-42-40-38-36-34-32-20-18-16-14-12-10-8-6-4-2)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/h14,16,18,20,34,36,40,42,52,55-60,63-65H,3-13,15,17,19,21-33,35,37-39,41,43-51H2,1-2H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/b16-14+,20-18-,36-34-,42-40-/t52-,55?,56+,57?,58-,59?,60?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O