In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01079AAI
Common NameLPC(P-20:1(11Z)/0:0)
Systematic Name1-(1Z,11Z-eicosadienyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
533.3845 (neutral)    Calculate m/z:
FormulaC28H56NO6P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1Z-alkenylglycerophosphocholines [GP0107]
PubChem Compound ID (CID)-
InChIKeyGHGABKUOGBLFOG-AAGMIPQGSA-N
InChIInChI=1S/C28H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-33-26
-28(30)27-35-36(31,32)34-25-23-29(2,3)4/h12-13,22,24,28,30H,5-11,14-21,23,25-27H
2,1-4H3/b13-12-,24-22-/t28-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)CO/C=CCCCCCCCC/C=CCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)