In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/7:1(5E)(4Ke,7Ke))
Systematic Name
1-decanoyl-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ABT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
507.223337
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
CUPZITAIGLYQGI-SQUSKLHYSA-N
InChi (Click to copy)
InChI=1S/C22H38NO10P/c1-2-3-4-5-6-7-8-11-21(26)30-17-20(18-32-34(28,29)31-16-14-23)33-22(27)13-12-19(25)10-9-15-24/h9-10,15,20H,2-8,11-14,16-18,23H2,1H3,(H,28,29)/b10-9+/t20-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(=O)/C=C/C=O)=O)COC(CCCCCCCCC)=O