In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AAY
Common NamePS(10:0/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12})
Systematic Name1-decanoyl-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phosphoserine
SynonymsPS(30:3(Ep,Ke,ring)); PS(10:0/20:3(Ep,Ke,ring))
Exact Mass
727.3697 (neutral)    Calculate m/z:
FormulaC36H58NO12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyJKSIWHZMXYLSDA-UGQOAMSHSA-N
InChIInChI=1S/C36H58NO12P/c1-3-5-7-9-11-13-15-19-34(39)45-24-28(25-46-50(43,44)47-26-
30(37)36(41)42)48-35(40)20-16-18-32-33(49-32)23-29-27(21-22-31(29)38)17-14-12-10
-8-6-4-2/h12,14,21-23,27-28,30,32-33H,3-11,13,15-20,24-26,37H2,1-2H3,(H,41,42)(H
,43,44)/b14-12-,29-23+/t27?,28-,30+,32?,33?/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)C=CC/1C/C=C\CCCCC)=O)
COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)