In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AHW
Common NamePG(O-16:1(11Z)/18:2(6Z,9Z))
Systematic Name1-(11Z-hexadecenyl)-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-
glycerol)
SynonymsPG(O-34:3); PG(O-16:1/18:2)
Exact Mass
730.5149 (neutral)    Calculate m/z:
FormulaC40H75O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyWNEZTILJTPQISD-GBNNRXQFSA-N
InChIInChI=1S/C40H75O9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-40(43)49-39(37
-48-50(44,45)47-35-38(42)34-41)36-46-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2
/h10,12,17,19,22,24,38-39,41-42H,3-9,11,13-16,18,20-21,23,25-37H2,1-2H3,(H,44,45
)/b12-10-,19-17-,24-22-/t38-,39+/m0/s1
SMILES[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCC
C/C=C\CCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)