In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20079ABP
Common NamePA(10:0/5:0(5Ke))
Systematic Name1-decanoyl-2-(5-oxo-valeroyl)-sn-glycero-3-phosphate
SynonymsPA(15:0(Ke)); PA(10:0/5:0(Ke))
Exact Mass
424.1862 (neutral)    Calculate m/z:
FormulaC18H33O9P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphates [GP2007]
PubChem Compound ID (CID)-
InChIKeyYGTVKXDNEGTKRP-MRXNPFEDSA-N
InChIInChI=1S/C18H33O9P/c1-2-3-4-5-6-7-8-11-17(20)25-14-16(15-26-28(22,23)24)27-18(21
)12-9-10-13-19/h13,16H,2-12,14-15H2,1H3,(H2,22,23,24)/t16-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCC=O)=O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)