In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AIT
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)
KKEMXTQGHHZRNU-SUIIRJLCSA-N
InChi (Click to copy)
InChI=1S/C46H79O9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-46(49)55-45(43-54-56(50,51)53-41-44(48)40-47)42-52-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,19,21-23,26,28,32,34,37,39,44-45,47-48H,3-4,6,8-10,12,14-18,20,24-25,27,29-31,33,35-36,38,40-43H2,1-2H3,(H,50,51)/b7-5-,13-11-,21-19+,23-22-,28-26-,34-32-,39-37-/t44-,45+/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\CCCCCCCCCCCCCCCC