In-Silico Structure Database (LMISSD)
Common Name
PG(P-20:1(9Z)/20:4(5Z,8Z,11Z,13E)(15OH[S]))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(15S-HETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FW8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
824.556738
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
POAQNPMWIXWOJV-IUHLHEHKSA-N
InChi (Click to copy)
InChI=1S/C46H81O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-34-38-53-41-45(42-55-57(51,52)54-40-44(49)39-47)56-46(50)37-33-29-26-23-20-18-19-22-25-28-32-36-43(48)35-31-6-4-2/h14-15,18-19,23,25-26,28,32,34,36,38,43-45,47-49H,3-13,16-17,20-22,24,27,29-31,33,35,37,39-42H2,1-2H3,(H,51,52)/b15-14-,19-18-,26-23-,28-25-,36-32+,38-34-/t43-,44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCC/C=C\CCCCCCCCCC