In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:1(11Z)/22:6(5E,7Z,10Z,13Z,16Z,19Z)(4OH))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(4-HDoHE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069FP4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
820.525438
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
YMDHXJUBWSKWNQ-XQSODALWSA-N
InChi (Click to copy)
InChI=1S/C46H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43(48)36-37-46(50)56-45(42-55-57(51,52)54-40-44(49)39-47)41-53-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,23,25,29,31,33-35,38,43-45,47-49H,3-4,6,8-10,12,15,18,20-22,24,26-28,30,32,36-37,39-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,16-14-,19-17-,25-23-,31-29-,35-33+,38-34-/t43?,44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCC