In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AAG
Common NamePS(10:0/13:2(9E,11E)(13Ke))
Systematic Name1-decanoyl-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphoserine
SynonymsPS(23:2(Ke)); PS(10:0/13:2(Ke))
Exact Mass
619.3122 (neutral)    Calculate m/z:
FormulaC29H50NO11P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyDGGKWAYPHRLHEL-PFLFTMKSSA-N
InChIInChI=1S/C29H50NO11P/c1-2-3-4-5-10-13-16-19-27(32)38-22-25(23-39-42(36,37)40-24-
26(30)29(34)35)41-28(33)20-17-14-11-8-6-7-9-12-15-18-21-31/h9,12,15,18,21,25-26H
,2-8,10-11,13-14,16-17,19-20,22-24,30H2,1H3,(H,34,35)(H,36,37)/b12-9+,18-15+/t25
-,26+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O)
(=O)O
MS Spectra-     
StatusActive (generated by computational methods)