In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069ABT
Common NamePG(10:0/7:1(5E)(4Ke,7Ke))
Systematic Name1-decanoyl-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(17:1(Ke2)); PG(10:0/7:1(Ke2))
Exact Mass
538.2179 (neutral)    Calculate m/z:
FormulaC23H39O12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyWVVZOLVHJWKITH-XNZYIBKVSA-N
InChIInChI=1S/C23H39O12P/c1-2-3-4-5-6-7-8-11-22(28)32-17-21(18-34-36(30,31)33-16-20(2
7)15-25)35-23(29)13-12-19(26)10-9-14-24/h9-10,14,20-21,25,27H,2-8,11-13,15-18H2,
1H3,(H,30,31)/b10-9+/t20-,21+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC(=O)/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)