In-Silico Structure Database (LMISSD)

Common Name
PA(P-20:1(11Z)/4:1(3E))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-3E-butenoyl-sn-glycero-3-phosphate
LM ID
LMGP20079FVW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
516.321593
Formula
C27H49O7P
Predict MS/MS spectrum (Neg. Mode)
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]

String Representations

InChiKey (Click to copy)
LFZNEPUNSQULGT-UFOLWZEZSA-N
InChi (Click to copy)
InChI=1S/C27H49O7P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-24-26(25-33-35(29,30)31)34-27(28)22-4-2/h4,11-12,21,23,26H,2-3,5-10,13-20,22,24-25H2,1H3,(H2,29,30,31)/b12-11-,23-21-/t26-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CC=C)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC

References

Other Databases