In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](19:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-nonadecanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019HTN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1084.505449
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
ZZEOCKGFEHEMJD-DUNROJTISA-N
InChi (Click to copy)
InChI=1S/C50H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(52)66-42(40-64-43(51)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-50-46(54)48(67-70(56,57)58)45(53)49(47(50)55)68-71(59,60)61/h5,7,11,13,19,21-23,27,29,33,35,42,45-50,53-55H,3-4,6,8-10,12,14-18,20,24-26,28,30-32,34,36-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b7-5-,13-11-,21-19+,23-22-,29-27-,35-33-/t42-,45?,46?,47?,48-,49?,50-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/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(CCCCCCCCCCCCCCCCCC)=O