In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049ABR
Common NamePS(10:0/6:1(4E)(3Ke,6OH,6Ke))
Systematic Name1-decanoyl-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(16:1(OH,Ke2)); PS(10:0/6:1(OH,Ke2))
Exact Mass
553.1924 (neutral)    Calculate m/z:
FormulaC22H36NO13P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyIOSSTIVLHLFWJD-KNJKRIMISA-N
InChIInChI=1S/C22H36NO13P/c1-2-3-4-5-6-7-8-9-20(27)33-13-17(36-21(28)12-16(24)10-11-1
9(25)26)14-34-37(31,32)35-15-18(23)22(29)30/h10-11,17-18H,2-9,12-15,23H2,1H3,(H,
25,26)(H,29,30)(H,31,32)/b11-10+/t17-,18+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(=
O)O
MS Spectra-     
StatusActive (generated by computational methods)