In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01069AAG
Common NameLPC(O-18:1(9Z)/0:0)
Systematic Name1-(9Z-octadecenyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
507.3689 (neutral)    Calculate m/z:
FormulaC26H54NO6P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoalkylglycerophosphocholines [GP0106]
PubChem Compound ID (CID)-
InChIKeyXWYSLMAMRKYUFH-HTOVTZSWSA-N
InChIInChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28
)25-33-34(29,30)32-23-21-27(2,3)4/h12-13,26,28H,5-11,14-25H2,1-4H3/b13-12-/t26-/
m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COCCCCCCCC/C=CCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)