In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019DL7
Common NamePS(22:0/11:0)
Systematic Name1-docosanoyl-2-undecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(33:0); PS(11:0_22:0)
Exact Mass
749.5207 (neutral)    Calculate m/z:
FormulaC39H76NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyQPLANEOJDRQASA-XDSPJLLDSA-N
InChIInChI=1S/C39H76NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-26-28-30-
37(41)47-32-35(33-48-51(45,46)49-34-36(40)39(43)44)50-38(42)31-29-27-24-12-10-8-
6-4-2/h35-36H,3-34,40H2,1-2H3,(H,43,44)(H,45,46)/t35-,36+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCC)
=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)