In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-18:1(11Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(11Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ANK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1086.557484
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)
VHIBSFCEWKAJGN-YJVRJXGOSA-N
InChi (Click to copy)
InChI=1S/C51H93O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-45(52)66-44(42-64-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2)43-65-72(62,63)69-49-46(53)47(54)50(67-70(56,57)58)51(48(49)55)68-71(59,60)61/h14,16,19,21,23-24,26,28,32,34,44,46-51,53-55H,3-13,15,17-18,20,22,25,27,29-31,33,35-43H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b16-14-,21-19-,24-23-,28-26-,34-32-/t44-,46?,47?,48?,49+,50?,51+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCC