In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](14:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-tetradecanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AK9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1046.489799
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
BQIRDADYZFZCIY-DEFLCFGLSA-N
InChi (Click to copy)
InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h17-18,20-21,23-24,28,30,39,42-47,50-52H,3-16,19,22,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b18-17-,21-20-,24-23-,30-28-/t39-,42?,43?,44?,45+,46?,47+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCCC)=O