In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069AB3
Common NamePG(10:0/9:0(9Ke))
Systematic Name1-decanoyl-2-(9-oxo-nonanoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(19:0(Ke)); PG(10:0/9:0(Ke))
Exact Mass
554.2856 (neutral)    Calculate m/z:
FormulaC25H47O11P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyXZSBGZRHICDWHK-XZOQPEGZSA-N
InChIInChI=1S/C25H47O11P/c1-2-3-4-5-6-9-12-15-24(29)33-20-23(21-35-37(31,32)34-19-22(
28)18-27)36-25(30)16-13-10-7-8-11-14-17-26/h17,22-23,27-28H,2-16,18-21H2,1H3,(H,
31,32)/t22-,23+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCC=O)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)