In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](20:4(7E,10E,13E,16E)/31:0)
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019ISO
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)
WLINXLQSOWABAL-SISOBJRFSA-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)79-60-56(64)58(77-80(66,67)68)55(63)59(57(60)65)78-81(69,70)71/h8,10,14,16,20,32,36,38,52,55-60,63-65H,3-7,9,11-13,15,17-19,21-31,33-35,37,39-51H2,1-2H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/b10-8+,16-14+,32-20+,38-36+/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](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O