In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](24:1(15Z)/17:2(9Z,12Z))
Systematic Name
1-(15Z-tetracosenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019D9L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1090.552399
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
XUQNQGWFFNTNFA-NOVWQICKSA-N
InChi (Click to copy)
InChI=1S/C50H93O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h10,12,16-19,42,45-50,53-55H,3-9,11,13-15,20-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b12-10-,18-16-,19-17-/t42-,45?,46?,47?,48+,49?,50+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O