In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](21:0/18:1(6Z))
Systematic Name
1-heneicosanoyl-2-(6Z-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019DKF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1066.552399
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
ASLZMJXJRUBAMA-GJVBTMLHSA-N
InChi (Click to copy)
InChI=1S/C48H93O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-41(49)62-38-40(64-42(50)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2)39-63-70(60,61)67-46-43(51)44(52)47(65-68(54,55)56)48(45(46)53)66-69(57,58)59/h27,29,40,43-48,51-53H,3-26,28,30-39H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b29-27-/t40-,43?,44?,45?,46+,47?,48+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCC)=O