In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/8:0(8Ke))
Systematic Name
1-decanoyl-2-(8-Oxo-octanoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ABX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
509.275372
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
QPRYDYXGQKGOHB-OAQYLSRUSA-N
InChi (Click to copy)
InChI=1S/C23H44NO9P/c1-2-3-4-5-6-8-11-14-22(26)30-19-21(20-32-34(28,29)31-18-16-24)33-23(27)15-12-9-7-10-13-17-25/h17,21H,2-16,18-20,24H2,1H3,(H,28,29)/t21-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC=O)=O)COC(CCCCCCCCC)=O