In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](22:4(7Z,10Z,13Z,16Z)/26:2(5Z,9Z))
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019I6D
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1182.614999
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
IPYJGRHZETUXMA-DNNAXIKBSA-N
InChi (Click to copy)
InChI=1S/C57H101O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-51(59)73-49(47-71-50(58)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2)48-72-79(69,70)76-57-53(61)55(74-77(63,64)65)52(60)56(54(57)62)75-78(66,67)68/h12,14,18,20,27,29-30,32-33,35,38,40,49,52-57,60-62H,3-11,13,15-17,19,21-26,28,31,34,36-37,39,41-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b14-12-,20-18-,29-27-,32-30-,35-33-,40-38-/t49-,52?,53?,54?,55-,56?,57-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O