In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](P-20:1(9Z)/0:0)
Systematic Name
1-(1Z,9Z-eicosadienyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09069AAJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
850.247202
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
1Z-alkenylglycerophosphoinositol trisphosphates [GP0906]
String Representations
InChiKey (Click to copy)
AKTQLCMUGIYZIO-NZBXZGQTSA-N
InChi (Click to copy)
InChI=1S/C29H58O20P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-44-21-23(30)22-45-53(42,43)49-26-24(31)27(46-50(33,34)35)29(48-52(39,40)41)28(25(26)32)47-51(36,37)38/h11-12,19-20,23-32H,2-10,13-18,21-22H2,1H3,(H,42,43)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41)/b12-11-,20-19-/t23-,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)CO/C=CCCCCCC/C=CCCCCCCCCCC