In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:1(11Z)/20:4(5Z,8Z,10E,14Z)(12OH[S]))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(12S-HETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FPM
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)
SDHJRYPYVJSXCX-URVKXDHASA-N
InChi (Click to copy)
InChI=1S/C44H77O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-24-28-32-36-51-39-43(40-53-55(49,50)52-38-42(47)37-45)54-44(48)35-31-27-23-20-19-22-26-30-34-41(46)33-29-25-10-8-6-4-2/h12-13,20,22-23,25-26,29-30,32,34,36,41-43,45-47H,3-11,14-19,21,24,27-28,31,33,35,37-40H2,1-2H3,(H,49,50)/b13-12-,23-20-,26-22-,29-25-,34-30+,36-32-/t41-,42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCC