In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02029ASR
Common NamePE(O-20:0/11:0)
Systematic Name1-eicosyl-2-undecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(O-31:0); PE(O-20:0/11:0)
Exact Mass
663.5203 (neutral)    Calculate m/z:
FormulaC36H74NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
PubChem Compound ID (CID)-
InChIKeyMHGSJBPADDSKRQ-PGUFJCEWSA-N
InChIInChI=1S/C36H74NO7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-31-41-3
3-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-12-10-8-6-4-2/h35H,3-34,37H
2,1-2H3,(H,39,40)/t35-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)