In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049ABS
Common NamePS(10:0/6:1(4E)(6Ke))
Systematic Name1-decanoyl-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(16:1(Ke)); PS(10:0/6:1(Ke))
Exact Mass
523.2183 (neutral)    Calculate m/z:
FormulaC22H38NO11P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyYCALPGNVNFXPTM-HAURFUKOSA-N
InChIInChI=1S/C22H38NO11P/c1-2-3-4-5-6-7-9-12-20(25)31-15-18(34-21(26)13-10-8-11-14-2
4)16-32-35(29,30)33-17-19(23)22(27)28/h8,11,14,18-19H,2-7,9-10,12-13,15-17,23H2,
1H3,(H,27,28)(H,29,30)/b11-8+/t18-,19+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)