In-Silico Structure Database (LMISSD)
Common Name
PG(O-18:1(11Z)/21:0)
Systematic Name
1-(11Z-octadecenyl)-2-heneicosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029APJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
804.624423
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
GKOWGDADELIEBI-KZAVIKCJSA-N
InChi (Click to copy)
InChI=1S/C45H89O9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-45(48)54-44(42-53-55(49,50)52-40-43(47)39-46)41-51-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h14,16,43-44,46-47H,3-13,15,17-42H2,1-2H3,(H,49,50)/b16-14-/t43-,44+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCC