In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](P-18:1(9Z)/30:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-triacontanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08039BFI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1176.698334
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
WCILKIVDFQGVAJ-QJKLYNEKSA-N
InChi (Click to copy)
InChI=1S/C57H111O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-51(58)72-50(48-70-47-45-43-41-39-37-35-33-20-18-16-14-12-10-8-6-4-2)49-71-78(68,69)75-57-53(60)55(73-76(62,63)64)52(59)56(54(57)61)74-77(65,66)67/h18,20,45,47,50,52-57,59-61H,3-17,19,21-44,46,48-49H2,1-2H3,(H,68,69)(H2,62,63,64)(H2,65,66,67)/b20-18-,47-45-/t50-,52?,53?,54?,55-,56?,57-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCC/C=C\CCCCCCCC