In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04039DEI
Common NamePG(P-14:0/20:1(13Z))
Systematic Name1-(1Z-tetradecenyl)-2-(13Z-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(P-34:1); PG(P-14:0/20:1)
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)-
InChIKeyLEZDOEKYEAPEPU-OBPMZZBISA-N
InChIInChI=1S/C40H77O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-40(43)49
-39(37-48-50(44,45)47-35-38(42)34-41)36-46-33-31-29-27-25-23-16-14-12-10-8-6-4-2
/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(CCCCCCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCC
CCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)