In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](26:0/20:3(8Z,11Z,14Z))
Systematic Name
1-hexacosanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019EHC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1160.630649
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
IUMJUEMZONWXKR-YZTBHMHUSA-N
InChi (Click to copy)
InChI=1S/C55H103O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(56)69-45-47(71-49(57)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2)46-70-77(67,68)74-53-50(58)51(59)54(72-75(61,62)63)55(52(53)60)73-76(64,65)66/h12,14,18,20,30,32,47,50-55,58-60H,3-11,13,15-17,19,21-29,31,33-46H2,1-2H3,(H,67,68)(H2,61,62,63)(H2,64,65,66)/b14-12-,20-18-,32-30-/t47-,50?,51?,52?,53+,54?,55+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCC/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(CCCCCCCCCCCCCCCCCCCCCCCCC)=O