In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](P-16:0/20:2(5Z,8Z))
Systematic Name
1-(1Z-hexadecenyl)-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08039ABF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1006.494884
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)
AHMQBKJNHCWHFK-RGIOWUNRSA-N
InChi (Click to copy)
InChI=1S/C45H85O18P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46)60-38(36-58-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-59-66(56,57)63-43-40(47)41(48)44(61-64(50,51)52)45(42(43)49)62-65(53,54)55/h21-22,26,28,33,35,38,40-45,47-49H,3-20,23-25,27,29-32,34,36-37H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b22-21-,28-26-,35-33-/t38-,40?,41?,42?,43+,44?,45+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCC