In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](P-14:0/18:2(2E,4E))
Systematic Name
1-(1Z-tetradecenyl)-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP07039AHV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.432284
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
String Representations
InChiKey (Click to copy)
AOGZXVLDHJPTPJ-SSIJNJMDSA-N
InChi (Click to copy)
InChI=1S/C41H77O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(42)56-34(32-54-31-29-27-25-23-21-16-14-12-10-8-6-4-2)33-55-62(52,53)59-39-36(43)37(44)40(57-60(46,47)48)41(38(39)45)58-61(49,50)51/h24,26,28-31,34,36-41,43-45H,3-23,25,27,32-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b26-24+,30-28+,31-29-/t34-,36?,37?,38?,39+,40?,41+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCCCCCC