In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](22:5(7Z,10Z,13Z,16Z,19Z)/28:0)
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-octacosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019OME
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1212.661949
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
RRKPBAMIJQMLDZ-CQQHIYMCSA-N
InChi (Click to copy)
InChI=1S/C59H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-53(61)75-51(49-73-52(60)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2)50-74-81(71,72)78-57-54(62)55(63)58(76-79(65,66)67)59(56(57)64)77-80(68,69)70/h6,8,12,14,18,20,29,31,35,37,51,54-59,62-64H,3-5,7,9-11,13,15-17,19,21-28,30,32-34,36,38-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b8-6-,14-12-,20-18-,31-29-,37-35-/t51-,54?,55+,56?,57-,58?,59?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O