In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01059AAK
Common NameLPC(16:1(9Z)/0:0)
Systematic Name1-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine
Synonyms-
Exact Mass
493.3168 (neutral)    Calculate m/z:
FormulaC24H48NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassMonoacylglycerophosphocholines [GP0105]
PubChem Compound ID (CID)-
InChIKeyLFUDDCMNKWEORN-ZXEGGCGDSA-N
InChIInChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22
-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s
1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCCCC/C=CCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)