In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20019AK1
Common NamePC(14:1(9Z)/4:0(4Ke))
Systematic Name1-(9Z-tetradecenoyl)-2-(4-oxobutyryl)-sn-glycero-3-phosphocholine
SynonymsPC(18:1(Ke)); PC(14:1/4:0(Ke))
Exact Mass
549.3067 (neutral)    Calculate m/z:
FormulaC26H48NO9P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphocholines [GP2001]
PubChem Compound ID (CID)-
InChIKeyUZBGEKUGWPBGJC-XXXZYALBSA-N
InChIInChI=1S/C26H48NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-17-25(29)33-22-24(36-26(30)18
-16-20-28)23-35-37(31,32)34-21-19-27(2,3)4/h8-9,20,24H,5-7,10-19,21-23H2,1-4H3/b
9-8-/t24-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC=O)=O)COC(CCCCCCC/C=C\CCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)