In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-14:0/18:1(13Z))
Systematic Name
1-tetradecyl-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AAR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
954.463584
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)
BJKDQMLNOXRUDE-JFJBMHDASA-N
InChi (Click to copy)
InChI=1S/C41H81O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(42)56-34(32-54-31-29-27-25-23-21-16-14-12-10-8-6-4-2)33-55-62(52,53)59-39-36(43)37(44)40(57-60(46,47)48)41(38(39)45)58-61(49,50)51/h9,11,34,36-41,43-45H,3-8,10,12-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b11-9-/t34-,36?,37?,38?,39+,40?,41+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/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)COCCCCCCCCCCCCCC