In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04039AJQ
Common NamePG(P-18:1(11Z)/16:0)
Systematic Name1-(1Z,11Z-octadecadienyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(P-34:1); PG(P-18:1/16:0)
Exact Mass
732.5305 (neutral)    Calculate m/z:
FormulaC40H77O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
PubChem Compound ID (CID)-
InChIKeyZOPDBQSTYRGMBZ-OBPMZZBISA-N
InChIInChI=1S/C40H77O9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-46-36-39(37
-48-50(44,45)47-35-38(42)34-41)49-40(43)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2
/h13,15,31,33,38-39,41-42H,3-12,14,16-30,32,34-37H2,1-2H3,(H,44,45)/b15-13-,33-3
1-/t38-,39+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C
\CCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)