In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10039ARA
Common NamePA(P-20:1(11Z)/18:3(9Z,12Z,15Z))
Systematic Name1-(1Z,11Z-eicosadienyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphate
SynonymsPA(P-38:4); PA(P-20:1/18:3)
Exact Mass
708.5094 (neutral)    Calculate m/z:
FormulaC41H73O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]
PubChem Compound ID (CID)-
InChIKeyYUSIFJJENIHLLR-WBTRBINZSA-N
InChIInChI=1S/C41H73O7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-46-38
-40(39-47-49(43,44)45)48-41(42)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6
,8,12,14,17-19,22,35,37,40H,3-5,7,9-11,13,15-16,20-21,23-34,36,38-39H2,1-2H3,(H2
,43,44,45)/b8-6-,14-12-,19-17-,22-18-,37-35-/t40-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCC/C=C\CCCC
CCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)