In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](18:2(6Z,9Z)/14:0)
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-tetradecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019MIR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
966.427199
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
YWDVTKQJPWHCDA-UVFLFAJTSA-N
InChi (Click to copy)
InChI=1S/C41H77O19P3/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)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/h16-17,20-21,33,36-41,44-46H,3-15,18-19,22-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b17-16-,21-20-/t33-,36?,37+,38?,39-,40?,41?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O