In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](30:0/20:4(5Z,8Z,10E,14Z))
Systematic Name
1-triacontanoyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019EZU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1214.677599
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
AYTNILGVYHZKLL-UUXJNWMMSA-N
InChi (Click to copy)
InChI=1S/C59H109O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-52(60)73-49-51(75-53(61)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2)50-74-81(71,72)78-57-54(62)55(63)58(76-79(65,66)67)59(56(57)64)77-80(68,69)70/h12,14,20,31,34,36,40,42,51,54-59,62-64H,3-11,13,15-19,21-30,32-33,35,37-39,41,43-50H2,1-2H3,(H,71,72)(H2,65,66,67)(H2,68,69,70)/b14-12-,31-20+,36-34-,42-40-/t51-,54?,55?,56?,57+,58?,59+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O