In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](13:0/18:4(9E,11E,13E,15E))
Systematic Name
1-tridecanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AH4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
948.380249
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
TVYXIPAYWTZQDV-MAVMVVRNSA-N
InChi (Click to copy)
InChI=1S/C40H71O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(42)56-32(30-54-33(41)28-26-24-22-20-14-12-10-8-6-4-2)31-55-62(52,53)59-38-35(43)36(44)39(57-60(46,47)48)40(37(38)45)58-61(49,50)51/h5,7,9,11,13,15-17,32,35-40,43-45H,3-4,6,8,10,12,14,18-31H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b7-5+,11-9+,15-13+,17-16+/t32-,35?,36?,37?,38+,39?,40+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCC)=O