In-Silico Structure Database (LMISSD)
Common Name
PG(18:0/18:2(10E,12Z)(9OH[S]))
Systematic Name
1-octadecanoyl-2-(9S-HODE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069A01
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
790.536003
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
CWNWPCVCNIJXBE-FVKUQTIZSA-N
InChi (Click to copy)
InChI=1S/C42H79O11P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-24-28-32-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)33-29-25-21-23-27-31-38(44)30-26-22-19-10-8-6-4-2/h19,22,26,30,38-40,43-45H,3-18,20-21,23-25,27-29,31-37H2,1-2H3,(H,48,49)/b22-19-,30-26+/t38-,39+,40-/m1/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC[C@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(=O)O