In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](16:0/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-hexadecanoyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AT0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1018.458499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
XRMOVPHLLDVZDW-GCQNYVPYSA-N
InChi (Click to copy)
InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h13,15,17-18,20,22,26,28,37,40-45,48-50H,3-12,14,16,19,21,23-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b15-13+,18-17-,22-20-,28-26-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCCCCC)=O