In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10079AAG
Common NameLPA(P-18:1(9Z)/0:0)
Systematic Name1-(1Z,9Z-octadecadienyl)-sn-glycero-3-phosphate
Synonyms-
Exact Mass
420.2641 (neutral)    Calculate m/z:
FormulaC21H41O6P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1Z-alkenylglycerophosphates [GP1007]
PubChem Compound ID (CID)-
InChIKeyJANQMZBNKKTLKU-GLOXDYABSA-N
InChIInChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-
27-28(23,24)25/h9-10,17-18,21-22H,2-8,11-16,19-20H2,1H3,(H2,23,24,25)/b10-9-,18-
17-/t21-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(O)CO/C=CCCCCCC/C=CCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)