In-Silico Structure Database (LMISSD)
Common Name
PG(P-20:1(9Z)/22:6(4Z,6E,10Z,13Z,16Z,19Z)(8OH))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(8-HDoHE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FXF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
848.556738
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
OMDVGDNFFMPWBC-DBWZBZQESA-N
InChi (Click to copy)
InChI=1S/C48H81O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-32-36-40-55-43-47(44-57-59(53,54)56-42-46(51)41-49)58-48(52)39-35-31-30-34-38-45(50)37-33-29-27-25-23-16-14-12-10-8-6-4-2/h6,8,12,14,19-20,23,25,29-31,33-34,36,38,40,45-47,49-51H,3-5,7,9-11,13,15-18,21-22,24,26-28,32,35,37,39,41-44H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-19-,25-23-,31-30-,33-29-,38-34+,40-36-/t45?,46-,47+/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\CCCCCC/C=C\CCCCCCCCCC