In-Silico Structure Database (LMISSD)

Common Name
PE(14:0/6:1(4E)(3Ke,6OH,6Ke))
Systematic Name
1-tetradecanoyl-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AJB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
565.265202
Formula
C25H44NO11P
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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 glycerophosphoethanolamines [GP2002]

String Representations

InChiKey (Click to copy)
SSVPEOZQBZWSTA-JXVRESAISA-N
InChi (Click to copy)
InChI=1S/C25H44NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-24(30)34-19-22(20-36-38(32,33)35-17-16-26)37-25(31)18-21(27)14-15-23(28)29/h14-15,22H,2-13,16-20,26H2,1H3,(H,28,29)(H,32,33)/b15-14+/t22-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCC)=O

References

Other Databases