In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10059AA4
Common NameLPA(18:3(6Z,9Z,12Z)/0:0)
Systematic Name1-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate
Synonyms-
Exact Mass
432.2277 (neutral)    Calculate m/z:
FormulaC21H37O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassMonoacylglycerophosphates [GP1005]
PubChem Compound ID (CID)-
InChIKeyKWFUSJZUJLGPTO-ZJVPVJIZSA-N
InChIInChI=1S/C21H37O7P/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/h6-7,9-10,12-13,20,22H,2-5,8,11,14-19H2,1H3,(H2,24,25,26)/b7-6
-,10-9-,13-12-/t20-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(O)COC(CCCC/C=CC/C=CC/C=CCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)