In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AB4
Common NamePS(10:0/9:0(9OH,9Ke))
Systematic Name1-decanoyl-2-azeloyl-sn-glycero-3-phosphoserine
SynonymsPS(19:0(OH,Ke)); PS(10:0/9:0(OH,Ke))
Exact Mass
583.2758 (neutral)    Calculate m/z:
FormulaC25H46NO12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyIUUCFUJJPQPASE-RTWAWAEBSA-N
InChIInChI=1S/C25H46NO12P/c1-2-3-4-5-6-9-12-15-23(29)35-17-20(18-36-39(33,34)37-19-21
(26)25(31)32)38-24(30)16-13-10-7-8-11-14-22(27)28/h20-21H,2-19,26H2,1H3,(H,27,28
)(H,31,32)(H,33,34)/t20-,21+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCC(=O)O)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)