In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049ABV
Common NamePS(10:0/7:1(5E)(4OH,7Ke))
Systematic Name1-decanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(17:1(OH,Ke)); PS(10:0/7:1(OH,Ke))
Exact Mass
553.2288 (neutral)    Calculate m/z:
FormulaC23H40NO12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyOYTPMRBESINMKF-IKTVQSKSSA-N
InChIInChI=1S/C23H40NO12P/c1-2-3-4-5-6-7-8-11-21(27)33-15-19(36-22(28)13-12-18(26)10-
9-14-25)16-34-37(31,32)35-17-20(24)23(29)30/h9-10,14,18-20,26H,2-8,11-13,15-17,2
4H2,1H3,(H,29,30)(H,31,32)/b10-9+/t18?,19-,20+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)