In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/9:2(5E,7E)(4Ke,9Ke))
Systematic Name
1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AB5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
533.238987
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
XSPGLHUCUAJGLX-LOSSPHQTSA-N
InChi (Click to copy)
InChI=1S/C24H40NO10P/c1-2-3-4-5-6-7-10-13-23(28)32-19-22(20-34-36(30,31)33-18-16-25)35-24(29)15-14-21(27)12-9-8-11-17-26/h8-9,11-12,17,22H,2-7,10,13-16,18-20,25H2,1H3,(H,30,31)/b11-8+,12-9+/t22-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O