In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:1(11Z)/18:2(9Z,12Z)(8OH[S]))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(8S-HODE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FPB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
772.525438
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
OLNMQPODDGFKRA-QEMKWTAOSA-N
InChi (Click to copy)
InChI=1S/C42H77O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-26-30-34-49-37-41(38-51-53(47,48)50-36-40(45)35-43)52-42(46)33-29-25-24-28-32-39(44)31-27-23-21-12-10-8-6-4-2/h12-14,21,27,30-31,34,39-41,43-45H,3-11,15-20,22-26,28-29,32-33,35-38H2,1-2H3,(H,47,48)/b14-13-,21-12-,31-27-,34-30-/t39-,40+,41-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCC[C@H](O)/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCC