In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/4:0(4OH,4Ke))
Systematic Name
1-decanoyl-2-succinyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ABM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
469.207687
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
JLOFBKRWOMADGI-MRXNPFEDSA-N
InChi (Click to copy)
InChI=1S/C19H36NO10P/c1-2-3-4-5-6-7-8-9-18(23)27-14-16(30-19(24)11-10-17(21)22)15-29-31(25,26)28-13-12-20/h16H,2-15,20H2,1H3,(H,21,22)(H,25,26)/t16-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC(=O)O)=O)COC(CCCCCCCCC)=O