In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01059AB6
Common NameLPC(26:2(5Z,9E)/0:0)
Systematic Name1-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
631.4577 (neutral)    Calculate m/z:
FormulaC34H66NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
PubChem Compound ID (CID)-
InChIKeyWZZKFQJGNKJERW-FXSLOOAISA-N
InChIInChI=1S/C34H66NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25
-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h20-21,24-25,33,36H
,5-19,22-23,26-32H2,1-4H3/b21-20+,25-24-/t33-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCC/C=CCC/C=C/CCCCCCCCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)