In-Silico Structure Database (LMISSD)
Common Name
PG(P-20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039ART
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
806.546173
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
BUHZZXFUHVYSFG-SNOKYHCUSA-N
InChi (Click to copy)
InChI=1S/C46H79O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-52-42-45(43-54-56(50,51)53-41-44(48)40-47)55-46(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,37,39,44-45,47-48H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-36,38,40-43H2,1-2H3,(H,50,51)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-,39-37-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/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\CCCCCCCC