In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20079AB4
Common NamePA(10:0/9:0(9OH,9Ke))
Systematic Name1-decanoyl-2-azeloyl-sn-glycero-3-phosphate
SynonymsPA(19:0(OH,Ke)); PA(10:0/9:0(OH,Ke))
Exact Mass
496.2437 (neutral)    Calculate m/z:
FormulaC22H41O10P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphates [GP2007]
PubChem Compound ID (CID)-
InChIKeyUSFDJQPBYKFKDP-LJQANCHMSA-N
InChIInChI=1S/C22H41O10P/c1-2-3-4-5-6-9-12-15-21(25)30-17-19(18-31-33(27,28)29)32-22(
26)16-13-10-7-8-11-14-20(23)24/h19H,2-18H2,1H3,(H,23,24)(H2,27,28,29)/t19-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCC(=O)O)=O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)