In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10059AA0
Common NameLPA(18:2(9E,11E)/0:0)
Systematic Name1-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphate
Synonyms-
Exact Mass
434.2433 (neutral)    Calculate m/z:
FormulaC21H39O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassMonoacylglycerophosphates [GP1005]
PubChem Compound ID (CID)-
InChIKeyJPXGMOYWDSKCAH-GVFVXHQWSA-N
InChIInChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)
19-28-29(24,25)26/h7-10,20,22H,2-6,11-19H2,1H3,(H2,24,25,26)/b8-7+,10-9+/t20-/m1
/s1
SMILES[C@](COP(=O)(O)O)([H])(O)COC(CCCCCCC/C=C/C=C/CCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)