In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AAA
Common NamePS(10:0/11:1(9E)(11Ke))
Systematic Name1-decanoyl-2-(11-Oxo-9E-undecenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(21:1(Ke)); PS(10:0/11:1(Ke))
Exact Mass
593.2965 (neutral)    Calculate m/z:
FormulaC27H48NO11P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyTVJVFKXINFTIHK-PEEOZJOBSA-N
InChIInChI=1S/C27H48NO11P/c1-2-3-4-5-8-11-14-17-25(30)36-20-23(21-37-40(34,35)38-22-2
4(28)27(32)33)39-26(31)18-15-12-9-6-7-10-13-16-19-29/h13,16,19,23-24H,2-12,14-15
,17-18,20-22,28H2,1H3,(H,32,33)(H,34,35)/b16-13+/t23-,24+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)
O
MS Spectra-     
StatusActive (generated by computational methods)