In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-18:1(11Z)/12:0)
Systematic Name
1-(11Z-octadecenyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ALV
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)
KCUOYVWNABCTES-LEXFUFTESA-N
InChi (Click to copy)
InChI=1S/C39H77O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-52-30-32(54-33(40)28-26-24-22-20-12-10-8-6-4-2)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/h13-14,32,34-39,41-43H,3-12,15-31H2,1-2H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b14-13-/t32-,34?,35?,36?,37+,38?,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCC