In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049ABU
Common NamePS(10:0/7:1(5E)(4Ke,7OH,7Ke))
Systematic Name1-decanoyl-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(17:1(OH,Ke2)); PS(10:0/7:1(OH,Ke2))
Exact Mass
567.2081 (neutral)    Calculate m/z:
FormulaC23H38NO13P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyBXAQENPRMKBGBW-LZNDSBFYSA-N
InChIInChI=1S/C23H38NO13P/c1-2-3-4-5-6-7-8-9-21(28)34-14-18(15-35-38(32,33)36-16-19(2
4)23(30)31)37-22(29)13-11-17(25)10-12-20(26)27/h10,12,18-19H,2-9,11,13-16,24H2,1
H3,(H,26,27)(H,30,31)(H,32,33)/b12-10+/t18-,19+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(
=O)O
MS Spectra-     
StatusActive (generated by computational methods)