In-Silico Structure Database (LMISSD)
Common Name
PI(P-16:1(11Z)/20:4(5Z,8Z,12E,14Z)(11Ke))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(11-oxo-ETE)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FJ1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
854.494533
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
MECLNBKIPOBGEQ-QWNLGIDWSA-N
InChi (Click to copy)
InChI=1S/C45H75O13P/c1-3-5-7-9-11-12-13-14-15-16-17-22-26-30-34-55-35-38(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)33-29-25-21-18-20-24-28-32-37(46)31-27-23-19-10-8-6-4-2/h9,11,18-19,21,23-24,27-28,30-31,34,38,40-45,48-52H,3-8,10,12-17,20,22,25-26,29,32-33,35-36H2,1-2H3,(H,53,54)/b11-9-,21-18-,23-19-,28-24-,31-27+,34-30-/t38-,40?,41-,42?,43?,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\CC(=O)/C=C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCC/C=C\CCCC