In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01059AAV
Common NameLPC(18:1(7Z)/0:0)
Systematic Name1-(7Z-octadecenoyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
521.3481 (neutral)    Calculate m/z:
FormulaC26H52NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
PubChem Compound ID (CID)-
InChIKeyXTOMNIGJIIFPHN-IHXXNJTDSA-N
InChIInChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25
(28)24-34-35(30,31)33-22-21-27(2,3)4/h14-15,25,28H,5-13,16-24H2,1-4H3/b15-14-/t2
5-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCC/C=CCCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)