In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AMZ
Common NamePS(15:0/4:0)
Systematic Name1-pentadecanoyl-2-butyryl-sn-glycero-3-phosphoserine
SynonymsPS(19:0); PS(15:0/4:0)
Exact Mass
553.3016 (neutral)    Calculate m/z:
FormulaC25H48NO10P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyMVWYNYVGWXETKO-YADHBBJMSA-N
InChIInChI=1S/C25H48NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-23(27)33-18-21(36-24(28
)16-4-2)19-34-37(31,32)35-20-22(26)25(29)30/h21-22H,3-20,26H2,1-2H3,(H,29,30)(H,
31,32)/t21-,22+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)