In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01059ADF
Common NameLPC(0:0/18:3(6Z,9Z,12Z))
Systematic Name2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
517.3168 (neutral)    Calculate m/z:
FormulaC26H48NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
PubChem Compound ID (CID)-
InChIKeyRWIZCQLHWCWNSA-ACHCNROVSA-N
InChIInChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23
-28)24-33-35(30,31)32-22-21-27(2,3)4/h9-10,12-13,15-16,25,28H,5-8,11,14,17-24H2,
1-4H3/b10-9-,13-12-,16-15-/t25-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC/C=CC/C=CC/C=CCCCCC)=O)CO
MS Spectra-     
StatusActive (generated by computational methods)