In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02029AAO
Common NamePE(O-14:0/18:0)
Systematic Name1-tetradecyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(O-32:0); PE(O-14:0/18:0)
Exact Mass
677.5359 (neutral)    Calculate m/z:
FormulaC37H76NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
PubChem Compound ID (CID)-
InChIKeyNGPKHQCDINRGKR-PSXMRANNSA-N
InChIInChI=1S/C37H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-37(39)45-36(3
5-44-46(40,41)43-33-31-38)34-42-32-29-27-25-23-21-16-14-12-10-8-6-4-2/h36H,3-35,
38H2,1-2H3,(H,40,41)/t36-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)