In-Silico Structure Database (LMISSD)
Common Name
PG(P-20:1(9Z)/18:2(10E,12Z)(9OH[S]))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(9S-HODE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FWP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
800.556738
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
NWMMMFIAWHFZNC-YKQSPAFVSA-N
InChi (Click to copy)
InChI=1S/C44H81O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-28-32-36-51-39-43(40-53-55(49,50)52-38-42(47)37-45)54-44(48)35-31-27-24-26-30-34-41(46)33-29-25-22-10-8-6-4-2/h16-17,22,25,29,32-33,36,41-43,45-47H,3-15,18-21,23-24,26-28,30-31,34-35,37-40H2,1-2H3,(H,49,50)/b17-16-,25-22-,33-29+,36-32-/t41-,42+,43-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC[C@H](O)/C=C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCC/C=C\CCCCCCCCCC