In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019AD3
Common NamePS(11:0/22:2(13Z,16Z))
Systematic Name1-undecanoyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoserine
SynonymsPS(33:2); PS(11:0_22:2)
Exact Mass
745.4894 (neutral)    Calculate m/z:
FormulaC39H72NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyLMWUNQZMZNWUCU-XDXGCNJWSA-N
InChIInChI=1S/C39H72NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-
38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-12-10-8-
6-4-2/h11,13,15-16,35-36H,3-10,12,14,17-34,40H2,1-2H3,(H,43,44)(H,45,46)/b13-11-
,16-15-/t35-,36+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCC
CCCCC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)