In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20029ADJ
Common NamePE(11:0/4:0)
Systematic Name1-undecanoyl-2-butyryl-sn-glycero-3-phosphoethanolamine
SynonymsPE(15:0); PE(11:0/4:0)
Exact Mass
453.2492 (neutral)    Calculate m/z:
FormulaC20H40NO8P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoethanolamines [GP2002]
PubChem Compound ID (CID)-
InChIKeyAXLLBMLWKDCAMG-GOSISDBHSA-N
InChIInChI=1S/C20H40NO8P/c1-3-5-6-7-8-9-10-11-13-19(22)26-16-18(29-20(23)12-4-2)17-28
-30(24,25)27-15-14-21/h18H,3-17,21H2,1-2H3,(H,24,25)/t18-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCC)=O)COC(CCCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)