In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-14:0/17:1(9Z))
Systematic Name
1-tetradecyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AAM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
940.447934
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)
VGJJVKMUVBWBHD-NFKHJFPBSA-N
InChi (Click to copy)
InChI=1S/C40H79O18P3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-34(41)55-33(31-53-30-28-26-24-22-20-16-14-12-10-8-6-4-2)32-54-61(51,52)58-38-35(42)36(43)39(56-59(45,46)47)40(37(38)44)57-60(48,49)50/h15,17,33,35-40,42-44H,3-14,16,18-32H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b17-15-/t33-,35?,36?,37?,38+,39?,40+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCC