In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10059ABK
Common NameLPA(20:4(5Z,8Z,11Z,13E)/0:0)
Systematic Name1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphate
Synonyms-
Exact Mass
458.2433 (neutral)    Calculate m/z:
FormulaC23H39O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassMonoacylglycerophosphates [GP1005]
PubChem Compound ID (CID)-
InChIKeyWZQNNQMWWDDUQU-VKQUSKQWSA-N
InChIInChI=1S/C23H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-
22(24)21-30-31(26,27)28/h7-10,12-13,15-16,22,24H,2-6,11,14,17-21H2,1H3,(H2,26,27
,28)/b8-7+,10-9-,13-12-,16-15-/t22-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(O)COC(CCC/C=CC/C=CC/C=CC=CCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)