In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](14:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-tetradecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AK2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1096.409182
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
QZNMXTMQZHANHW-VPHPIJNWSA-N
InChi (Click to copy)
InChI=1S/C45H80O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)63-37(35-61-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h11,13,16-17,19-20,22,24,28,30,37,40-45,48-49H,3-10,12,14-15,18,21,23,25-27,29,31-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b13-11-,17-16-,20-19-,24-22-,30-28-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=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(CCCCCCCCCCCCC)=O