In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AB5
Common NamePS(10:0/9:2(5E,7E)(4Ke,9Ke))
Systematic Name1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphoserine
SynonymsPS(19:2(Ke2)); PS(10:0/9:2(Ke2))
Exact Mass
577.2288 (neutral)    Calculate m/z:
FormulaC25H40NO12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyPOIWKWLXCHTAMB-YGUBQXBFSA-N
InChIInChI=1S/C25H40NO12P/c1-2-3-4-5-6-7-10-13-23(29)35-17-21(18-36-39(33,34)37-19-22
(26)25(31)32)38-24(30)15-14-20(28)12-9-8-11-16-27/h8-9,11-12,16,21-22H,2-7,10,13
-15,17-19,26H2,1H3,(H,31,32)(H,33,34)/b11-8+,12-9+/t21-,22+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O)
(=O)O
MS Spectra-     
StatusActive (generated by computational methods)