In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069AB4
Common NamePG(10:0/9:0(9OH,9Ke))
Systematic Name1-decanoyl-2-azeloyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(19:0(OH,Ke)); PG(10:0/9:0(OH,Ke))
Exact Mass
570.2805 (neutral)    Calculate m/z:
FormulaC25H47O12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyIIIPCJZBFLCPNQ-FCHUYYIVSA-N
InChIInChI=1S/C25H47O12P/c1-2-3-4-5-6-9-12-15-24(30)34-19-22(20-36-38(32,33)35-18-21(
27)17-26)37-25(31)16-13-10-7-8-11-14-23(28)29/h21-22,26-27H,2-20H2,1H3,(H,28,29)
(H,32,33)/t21-,22+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCC(=O)O)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)