In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04059AAK
Common NameLPG(16:1(9Z)/0:0)
Systematic Name1-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
Synonyms-
Exact Mass
482.2645 (neutral)    Calculate m/z:
FormulaC22H43O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassMonoacylglycerophosphoglycerols [GP0405]
PubChem Compound ID (CID)-
InChIKeyJSKJPUCKVIJTKI-PNHFMCTPSA-N
InChIInChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-
32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)/b8-7-/t20-
,21+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(O)COC(CCCCCCC/C=CCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)