In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](10:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-decanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019ABX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
958.364599
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
WMIVYMOTZZZWKX-VOQLLCSYSA-N
InChi (Click to copy)
InChI=1S/C41H69O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(43)57-33(31-55-34(42)29-27-25-23-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h5,7,11-12,14-15,17-18,20-21,24,26,33,36-41,44-46H,3-4,6,8-10,13,16,19,22-23,25,27-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b7-5-,12-11-,15-14-,18-17-,21-20-,26-24-/t33-,36?,37?,38?,39+,40?,41+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCC)=O