In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/4:0)
Systematic Name
1-decanoyl-2-butyryl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029ABN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
439.233507
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
MZKQDTUGVQDKEL-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C19H38NO8P/c1-3-5-6-7-8-9-10-12-18(21)25-15-17(28-19(22)11-4-2)16-27-29(23,24)26-14-13-20/h17H,3-16,20H2,1-2H3,(H,23,24)/t17-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC)=O)COC(CCCCCCCCC)=O