In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](29:0/20:4(7E,10E,13E,16E))
Systematic Name
1-nonacosanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019J80
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1200.661949
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
HQXRRIGLRAOSOH-CMDBWHJZSA-N
InChi (Click to copy)
InChI=1S/C58H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-51(59)72-48-50(74-52(60)47-45-43-41-39-37-35-33-30-20-18-16-14-12-10-8-6-4-2)49-73-80(70,71)77-58-54(62)56(75-78(64,65)66)53(61)57(55(58)63)76-79(67,68)69/h8,10,14,16,20,30,35,37,50,53-58,61-63H,3-7,9,11-13,15,17-19,21-29,31-34,36,38-49H2,1-2H3,(H,70,71)(H2,64,65,66)(H2,67,68,69)/b10-8+,16-14+,30-20+,37-35+/t50-,53?,54?,55?,56-,57?,58-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=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