In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AAX
Common NamePS(10:0/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12})
Systematic Name1-decanoyl-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphoserine
SynonymsPS(30:2(Ep,Ke,OH,ring)); PS(10:0/20:2(Ep,Ke,OH,ring))
Exact Mass
745.3802 (neutral)    Calculate m/z:
FormulaC36H60NO13P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyXHTCTDUCDYQTKD-RSUNDNQESA-N
InChIInChI=1S/C36H60NO13P/c1-3-5-7-9-11-13-15-19-34(40)46-23-26(24-47-51(44,45)48-25-
29(37)36(42)43)49-35(41)20-16-18-32-33(50-32)21-28-27(30(38)22-31(28)39)17-14-12
-10-8-6-4-2/h12,14,21,26-27,29-30,32-33,38H,3-11,13,15-20,22-25,37H2,1-2H3,(H,42
,43)(H,44,45)/b14-12-,28-21+/t26-,27?,29+,30?,32?,33?/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)CC(O)C/1C/C=C\CCCCC)=
O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)