In-Silico Structure Database (LMISSD)
Common Name
PG(O-22:1(9Z)/19:0)
Systematic Name
1-(9Z-docosenyl)-2-nonadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029A9T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.655723
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
FQLZXIYVPHREHE-LYRKGGFGSA-N
InChi (Click to copy)
InChI=1S/C47H93O9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-53-43-46(44-55-57(51,52)54-42-45(49)41-48)56-47(50)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h23-24,45-46,48-49H,3-22,25-44H2,1-2H3,(H,51,52)/b24-23-/t45-,46+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCC/C=C\CCCCCCCCCCCC