In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](12:0/32:0)
Systematic Name
1-dodecanoyl-2-dotriacontanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AGZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1138.646299
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
QWBCXMOBQJVQAS-YOKAADHOSA-N
InChi (Click to copy)
InChI=1S/C53H105O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-47(55)69-45(43-67-46(54)41-39-37-35-33-12-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h45,48-53,56-58H,3-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/t45-,48?,49?,50?,51+,52?,53+/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(CCCCCCCCCCC)=O