In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-20:1(9Z)/16:0)
Systematic Name
1-(9Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CSF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1010.526184
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
BLGUBFULPYUXJE-MWHILYSYSA-N
InChi (Click to copy)
InChI=1S/C45H89O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-58-36-38(60-39(46)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)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/h19-20,38,40-45,47-49H,3-18,21-37H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b20-19-/t38-,40?,41+,42?,43-,44?,45?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCCCC