In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](P-18:1(9Z)/0:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09069AAG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
822.215902
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
1Z-alkenylglycerophosphoinositol trisphosphates [GP0906]
String Representations
InChiKey (Click to copy)
QCRNUVJROSTVTR-PQJPEZRZSA-N
InChi (Click to copy)
InChI=1S/C27H54O20P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-42-19-21(28)20-43-51(40,41)47-24-22(29)25(44-48(31,32)33)27(46-50(37,38)39)26(23(24)30)45-49(34,35)36/h9-10,17-18,21-30H,2-8,11-16,19-20H2,1H3,(H,40,41)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/b10-9-,18-17-/t21-,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)CO/C=CCCCCCC/C=CCCCCCCCC