In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](18:1(6Z)/0:0)
Systematic Name
1-(6Z-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049AAU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
838.210817
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
FFJVEHFJOVIJDK-LYCWXBRBSA-N
InChi (Click to copy)
InChI=1S/C27H54O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)43-18-20(28)19-44-52(41,42)48-24-22(30)25(45-49(32,33)34)27(47-51(38,39)40)26(23(24)31)46-50(35,36)37/h12-13,20,22-28,30-31H,2-11,14-19H2,1H3,(H,41,42)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/b13-12-/t20-,22?,23?,24-,25+,26?,27?/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(CCCC/C=CCCCCCCCCCCC)=O