In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](20:1(11Z)/0:0)
Systematic Name
1-(11Z-eicosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ABB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
866.242117
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
UWHXMENXIZTSOL-RMTGDTHOSA-N
InChi (Click to copy)
InChI=1S/C29H58O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)45-20-22(30)21-46-54(43,44)50-26-24(32)27(47-51(34,35)36)29(49-53(40,41)42)28(25(26)33)48-52(37,38)39/h9-10,22,24-30,32-33H,2-8,11-21H2,1H3,(H,43,44)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)/b10-9-/t22-,24?,25?,26-,27+,28?,29?/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC/C=CCCCCCCCC)=O