In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01059ABD
Common NameLPC(20:1(13Z)/0:0)
Systematic Name1-(13Z-eicosenoyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
549.3794 (neutral)    Calculate m/z:
FormulaC28H56NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
PubChem Compound ID (CID)-
InChIKeyJOPPVTHMSDTTEL-KDFWIBFYSA-N
InChIInChI=1S/C28H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34
-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h10-11,27,30H,5-9,12-26H2,1-4H3/b11-1
0-/t27-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCCCCCCCC/C=CCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)