In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-14:0/16:1(7Z))
Systematic Name
1-tetradecyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029B7P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
926.432284
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)
MHVJIHSDEOHVLO-HKLBSPGQSA-N
InChi (Click to copy)
InChI=1S/C39H77O18P3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(40)54-32(30-52-29-27-25-23-21-19-16-14-12-10-8-6-4-2)31-53-60(50,51)57-37-34(41)35(42)38(55-58(44,45)46)39(36(37)43)56-59(47,48)49/h17-18,32,34-39,41-43H,3-16,19-31H2,1-2H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b18-17-/t32-,34?,35+,36?,37-,38?,39?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCCCCCCCC