In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029ABS
Common NamePG(O-14:0/22:2(13Z,16Z))
Systematic Name1-tetradecyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-36:2); PG(O-14:0/22:2)
Exact Mass
760.5618 (neutral)    Calculate m/z:
FormulaC42H81O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyKJLHZDPKJIZLOA-SIFNWRCISA-N
InChIInChI=1S/C42H81O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-42
(45)51-41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-16-14-12-10-8
-6-4-2/h11,13,17-18,40-41,43-44H,3-10,12,14-16,19-39H2,1-2H3,(H,46,47)/b13-11-,1
8-17-/t40-,41+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCC
CCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)