In-Silico Structure Database (LMISSD)
Common Name
PG(P-20:1(11Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AR1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.561823
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
MLLPSSUMZGWZEF-SLIONARYSA-N
InChi (Click to copy)
InChI=1S/C48H81O9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,18-21,23-24,28,30,34,36,39,41,46-47,49-50H,3-4,6,8-10,12,14-17,22,25-27,29,31-33,35,37-38,40,42-45H2,1-2H3,(H,52,53)/b7-5-,13-11-,20-18-,21-19+,24-23-,30-28-,36-34-,41-39-/t46-,47+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCCCC