In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](17:1(9Z)/22:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-docosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019LP4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1066.552399
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
DXNNHOUCSPUMII-AYVWQPHASA-N
InChi (Click to copy)
InChI=1S/C48H93O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(50)64-40(38-62-41(49)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)39-63-70(60,61)67-46-43(51)44(52)47(65-68(54,55)56)48(45(46)53)66-69(57,58)59/h16,18,40,43-48,51-53H,3-15,17,19-39H2,1-2H3,(H,60,61)(H2,54,55,56)(H2,57,58,59)/b18-16-/t40-,43?,44+,45?,46-,47?,48?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCCCCC)=O