In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](20:1(13E)/19:0)
Systematic Name
1-(13E-eicosenoyl)-2-nonadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019CQU
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)
RWCWXXSMFGAHAE-DPORZVDFSA-N
InChi (Click to copy)
InChI=1S/C48H93O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41(49)62-38-40(64-42(50)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)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/h13,15,40,43-48,51-53H,3-12,14,16-39H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b15-13+/t40-,43?,44?,45?,46+,47?,48+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCC/C=C/CCCCCC)=O