In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](17:2(9Z,12Z)/18:2(6Z,9Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019GGB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1004.442849
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
IFUUXFXZEZAAGG-YPPJGIHSSA-N
InChi (Click to copy)
InChI=1S/C44H79O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)60-36(34-58-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-59-66(56,57)63-44-40(48)42(61-64(50,51)52)39(47)43(41(44)49)62-65(53,54)55/h10,12,16-19,23,25,36,39-44,47-49H,3-9,11,13-15,20-22,24,26-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b12-10-,18-16-,19-17-,25-23-/t36-,39?,40?,41?,42-,43?,44-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O