In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](11:0/32:0)
Systematic Name
1-undecanoyl-2-dotriacontanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AEO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1124.630649
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
CFMOWBMLGTYTFL-SEHHKTSMSA-N
InChi (Click to copy)
InChI=1S/C52H103O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-46(54)68-44(42-66-45(53)40-38-36-34-12-10-8-6-4-2)43-67-74(64,65)71-50-47(55)48(56)51(69-72(58,59)60)52(49(50)57)70-73(61,62)63/h44,47-52,55-57H,3-43H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/t44-,47?,48?,49?,50+,51?,52+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCC)=O