In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AAW
Common NamePS(10:0/20:2(5Z,13E)(9OH[S],11Ke,15OH[S]){8a,12b})
Systematic Name1-decanoyl-2-PGD2-sn-glycero-3-phosphoserine
SynonymsPS(30:2(OH2,Ke,ring)); PS(10:0/20:2(OH2,Ke,ring))
Exact Mass
747.3959 (neutral)    Calculate m/z:
FormulaC36H62NO13P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyUOYKQDXYFLNJSZ-GUHQDZJJSA-N
InChIInChI=1S/C36H62NO13P/c1-3-5-7-8-9-10-15-19-34(41)47-24-28(25-48-51(45,46)49-26-3
1(37)36(43)44)50-35(42)20-16-12-11-14-18-29-30(33(40)23-32(29)39)22-21-27(38)17-
13-6-4-2/h11,14,21-22,27-32,38-39H,3-10,12-13,15-20,23-26,37H2,1-2H3,(H,43,44)(H
,45,46)/b14-11-,22-21+/t27-,28+,29+,30+,31-,32-/m0/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=
C/[C@@H](O)CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)