In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](22:2(13Z,16Z)/0:0)
Systematic Name
1-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ABS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
892.257767
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
LJPWGNJVDCUHGU-OYNPEXPDSA-N
InChi (Click to copy)
InChI=1S/C31H60O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(33)47-22-24(32)23-48-56(45,46)52-28-26(34)29(49-53(36,37)38)31(51-55(42,43)44)30(27(28)35)50-54(39,40)41/h6-7,9-10,24,26-32,34-35H,2-5,8,11-23H2,1H3,(H,45,46)(H2,36,37,38)(H2,39,40,41)(H2,42,43,44)/b7-6-,10-9-/t24-,26?,27?,28-,29+,30?,31?/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(CCCCCCCCCCC/C=CC/C=CCCCCC)=O