In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04010032
Common NamePG(10:0/10:0)
Systematic Name1-2-di-decanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(20:0); PG(10:0/10:0)
Exact Mass
554.3220 (neutral)    Calculate m/z:
FormulaC26H51O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
PubChem Compound ID (CID)-
InChIKeyIOLZSQRFJBMYSU-BJKOFHAPSA-N
InChIInChI=1S/C26H51O10P/c1-3-5-7-9-11-13-15-17-25(29)33-21-24(22-35-37(31,32)34-20-2
3(28)19-27)36-26(30)18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22H2,1-2H3,(H,31,32)/
t23-,24+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O)(=O)O
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)
Calculated physicochemical properties (?):
 Heavy Atoms37Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
560.81Topological Polar
Surface Area
148.82Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
10
 logP7.09Molar
Refractivity
143.73