In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069AAH
Common NamePG(10:0/13:2(9E,11E)(8Ke,13Ke))
Systematic Name1-decanoyl-2-(8,13-dioxo-9E,11E-tridecadienoyl)-sn-glycero-3-phospho-(1'-sn-
glycerol)
SynonymsPG(23:2(Ke2)); PG(10:0/13:2(Ke2))
Exact Mass
620.2962 (neutral)    Calculate m/z:
FormulaC29H49O12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyAOYANLBUVHYVHI-YLAMIQRCSA-N
InChIInChI=1S/C29H49O12P/c1-2-3-4-5-6-7-13-18-28(34)38-23-27(24-40-42(36,37)39-22-26(
33)21-31)41-29(35)19-14-9-8-11-16-25(32)17-12-10-15-20-30/h10,12,15,17,20,26-27,
31,33H,2-9,11,13-14,16,18-19,21-24H2,1H3,(H,36,37)/b15-10+,17-12+/t26-,27+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O
)O
MS Spectra-     
StatusActive (generated by computational methods)