In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:1(11Z)/15:0)
Systematic Name
1-(11Z-eicosenyl)-2-pentadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ASW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
996.510534
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
PJBCHMOCIKXDSL-JJBWLWBUSA-N
InChi (Click to copy)
InChI=1S/C44H87O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-57-35-37(59-38(45)33-31-29-27-25-23-16-14-12-10-8-6-4-2)36-58-65(55,56)62-42-39(46)40(47)43(60-63(49,50)51)44(41(42)48)61-64(52,53)54/h17-18,37,39-44,46-48H,3-16,19-36H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b18-17-/t37-,39?,40?,41?,42+,43?,44+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC