In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](23:0/18:3(6Z,9Z,12Z))
Systematic Name
1-tricosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019D5G
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1090.552399
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
MOHHBWAZXWXROW-BKEVLAOQSA-N
InChi (Click to copy)
InChI=1S/C50H93O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h12,14,18,24,29,31,42,45-50,53-55H,3-11,13,15-17,19-23,25-28,30,32-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b14-12-,24-18-,31-29-/t42-,45?,46?,47?,48+,49?,50+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/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(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCC)=O