In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019ABD
Common NamePS(10:0/20:1(13Z))
Systematic Name1-decanoyl-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(30:1); PS(10:0_20:1)
Exact Mass
705.4581 (neutral)    Calculate m/z:
FormulaC36H68NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyUNBFQYOAHRYGLW-RVRUAZPDSA-N
InChIInChI=1S/C36H68NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(39)
47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-10-8-6-4-2/h12
-13,32-33H,3-11,14-31,37H2,1-2H3,(H,40,41)(H,42,43)/b13-12-/t32-,33+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCC)
=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)