In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-18:1(9Z)/29:0)
Systematic Name
1-(9Z-octadecenyl)-2-nonacosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CNA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1164.698334
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)
FUDLXZZKFIDWGB-VGEKORJXSA-N
InChi (Click to copy)
InChI=1S/C56H111O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-50(57)71-49(47-69-46-44-42-40-38-36-34-32-20-18-16-14-12-10-8-6-4-2)48-70-77(67,68)74-54-51(58)52(59)55(72-75(61,62)63)56(53(54)60)73-76(64,65)66/h18,20,49,51-56,58-60H,3-17,19,21-48H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/b20-18-/t49-,51?,52+,53?,54-,55?,56?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCC