In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01059ABT
Common NameLPC(22:4(7Z,10Z,13Z,16Z)/0:0)
Systematic Name1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
571.3638 (neutral)    Calculate m/z:
FormulaC30H54NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
PubChem Compound ID (CID)-
InChIKeyZOJBSSVHFSBHMP-JJJSWPRASA-N
InChIInChI=1S/C30H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30
(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,29,32H,
5-8,11,14,17,20-28H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t29-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCC/C=CC/C=CC/C=CC/C=CCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)