In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](P-14:0/17:0)
Systematic Name
1-(1Z-tetradecenyl)-2-heptadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP07039AHI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
940.447934
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
String Representations
InChiKey (Click to copy)
IIFBEGWZSCVGRD-ALKMFWEJSA-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/h28,30,33,35-40,42-44H,3-27,29,31-32H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b30-28-/t33-,35?,36?,37?,38+,39?,40+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCC)=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\CCCCCCCCCCCC