In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01059ABK
Common NameLPC(20:4(5Z,8Z,11Z,13E)/0:0)
Systematic Name1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
543.3325 (neutral)    Calculate m/z:
FormulaC28H50NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
PubChem Compound ID (CID)-
InChIKeyQWCLYUFEUBKDQY-QXTLCHKMSA-N
InChIInChI=1S/C28H50NO7P/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/h10-13,15-16,18-19,27,30H,5-9,14,17,2
0-26H2,1-4H3/b11-10+,13-12-,16-15-,19-18-/t27-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCC/C=CC/C=CC/C=CC=CCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)