In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:1(11Z)/22:6(4Z,6E,10Z,13Z,16Z,19Z)(8OH))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(8-HDoHE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FPV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
820.525438
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
HORPBVXWUKEAFU-TYTXVTJGSA-N
InChi (Click to copy)
InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-30-34-38-53-41-45(42-55-57(51,52)54-40-44(49)39-47)56-46(50)37-33-29-28-32-36-43(48)35-31-27-25-23-21-16-14-12-10-8-6-4-2/h6,8,12-15,21,23,27-29,31-32,34,36,38,43-45,47-49H,3-5,7,9-11,16-20,22,24-26,30,33,35,37,39-42H2,1-2H3,(H,51,52)/b8-6-,14-12-,15-13-,23-21-,29-28-,31-27-,36-32+,38-34-/t43?,44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCC