In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069ABZ
Common NamePG(10:0/8:1(6E)(5Ke,8Ke))
Systematic Name1-decanoyl-2-(5,8-dioxo-6E-octenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(18:1(Ke2)); PG(10:0/8:1(Ke2))
Exact Mass
552.2336 (neutral)    Calculate m/z:
FormulaC24H41O12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyLOPAEAIGKOSELU-PNXDNICKSA-N
InChIInChI=1S/C24H41O12P/c1-2-3-4-5-6-7-8-13-23(29)33-18-22(19-35-37(31,32)34-17-21(2
8)16-26)36-24(30)14-9-11-20(27)12-10-15-25/h10,12,15,21-22,26,28H,2-9,11,13-14,1
6-19H2,1H3,(H,31,32)/b12-10+/t21-,22+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC(=O)/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)