In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:1(11Z)/20:4(5Z,8Z,11Z,13E)(15Ke))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(15-Oxo-ETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FPN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.509788
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
VTTSRUOKJKYFFF-QCUQCTDKSA-N
InChi (Click to copy)
InChI=1S/C44H75O10P/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-28-32-36-51-39-43(40-53-55(49,50)52-38-42(47)37-45)54-44(48)35-31-27-24-21-18-16-17-20-23-26-30-34-41(46)33-29-6-4-2/h10-11,16-17,21,23-24,26,30,32,34,36,42-43,45,47H,3-9,12-15,18-20,22,25,27-29,31,33,35,37-40H2,1-2H3,(H,49,50)/b11-10-,17-16-,24-21-,26-23-,34-30+,36-32-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCC