In-Silico Structure Database (LMISSD)
Common Name
PG(O-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(11Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029APO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
808.561823
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
QLHSTJNZCZITOP-SNEROLIHSA-N
InChi (Click to copy)
InChI=1S/C46H81O9P/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/h11,13-14,16-17,19,22-23,26,28,32,34,44-45,47-48H,3-10,12,15,18,20-21,24-25,27,29-31,33,35-43H2,1-2H3,(H,50,51)/b13-11-,16-14-,19-17-,23-22-,28-26-,34-32-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCC