In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20019AB1
Common NamePC(10:0/8:1(6E)(5OH,8Ke))
Systematic Name1-decanoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(18:1(OH,Ke)); PC(10:0/8:1(OH,Ke))
Exact Mass
565.3016 (neutral)    Calculate m/z:
FormulaC26H48NO10P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphocholines [GP2001]
PubChem Compound ID (CID)-
InChIKeyQSHKTNIXYALWNN-XPQLNFFDSA-N
InChIInChI=1S/C26H48NO10P/c1-5-6-7-8-9-10-11-16-25(30)34-21-24(22-36-38(32,33)35-20-1
8-27(2,3)4)37-26(31)17-12-14-23(29)15-13-19-28/h13,15,19,23-24,29H,5-12,14,16-18
,20-22H2,1-4H3/b15-13+/t23?,24-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)