In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:1(11Z)/11:0)
Systematic Name
1-(11Z-eicosenyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ASR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
940.447934
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
QRQLVKKIMSJFPX-LXQITIHPSA-N
InChi (Click to copy)
InChI=1S/C40H79O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-53-31-33(55-34(41)29-27-25-23-12-10-8-6-4-2)32-54-61(51,52)58-38-35(42)36(43)39(56-59(45,46)47)40(37(38)44)57-60(48,49)50/h15-16,33,35-40,42-44H,3-14,17-32H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b16-15-/t33-,35?,36?,37?,38+,39?,40+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC