In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019IMW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1038.427199
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
ADFHHKKEXQAALL-HLVMIQHZSA-N
InChi (Click to copy)
InChI=1S/C47H77O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-47-43(51)45(64-67(53,54)55)42(50)46(44(47)52)65-68(56,57)58/h6,8,11-14,17-19,21-23,26-29,39,42-47,50-52H,3-5,7,9-10,15-16,20,24-25,30-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-,42?,43?,44?,45-,46?,47-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O