In-Silico Structure Database (LMISSD)
Common Name
PG(17:2(9Z,12Z)/18:2(8E,12Z)(10OH[S]))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(10S-HODE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069AY7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
772.489053
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
GBZIICAJIFUOHW-RBTCZGPUSA-N
InChi (Click to copy)
InChI=1S/C41H73O11P/c1-3-5-7-9-11-12-13-14-15-16-17-18-23-27-31-40(45)49-35-39(36-51-53(47,48)50-34-38(44)33-42)52-41(46)32-28-24-20-19-22-26-30-37(43)29-25-21-10-8-6-4-2/h9,11,13-14,21,25-26,30,37-39,42-44H,3-8,10,12,15-20,22-24,27-29,31-36H2,1-2H3,(H,47,48)/b11-9-,14-13-,25-21-,30-26+/t37-,38-,39+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCC/C=C/[C@@H](O)C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O)(=O)O