In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](P-16:1(11Z)/14:1(9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08039ACQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
922.400984
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
XLRQTJVMPJQSKS-CTCVFTCESA-N
InChi (Click to copy)
InChI=1S/C39H73O18P3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-52-30-32(54-33(40)28-26-24-22-20-18-14-12-10-8-6-4-2)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/h9-12,27,29,32,34-39,41-43H,3-8,13-26,28,30-31H2,1-2H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b11-9-,12-10-,29-27-/t32-,34?,35?,36?,37+,38?,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCC/C=C\CCCC