In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:1(11Z)/20:4(5Z,9E,11Z,14Z)(8OH[S]))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(8S-HETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FPS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
796.525438
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
GDYKEWWODYZFHI-LQWVTXQZSA-N
InChi (Click to copy)
InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-28-32-36-51-39-43(40-53-55(49,50)52-38-42(47)37-45)54-44(48)35-31-27-26-30-34-41(46)33-29-25-23-21-14-12-10-8-6-4-2/h12-15,23,25-26,29-30,32-33,36,41-43,45-47H,3-11,16-22,24,27-28,31,34-35,37-40H2,1-2H3,(H,49,50)/b14-12-,15-13-,25-23-,30-26-,33-29+,36-32-/t41-,42+,43-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCC