In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02029AAF
Common NamePE(O-14:0/14:1(9Z))
Systematic Name1-tetradecyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoethanolamine
SynonymsPE(O-28:1); PE(O-14:0/14:1)
Exact Mass
619.4577 (neutral)    Calculate m/z:
FormulaC33H66NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
PubChem Compound ID (CID)-
InChIKeySESZDMHBGYOWSC-PGKKXZESSA-N
InChIInChI=1S/C33H66NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-38-30-32(31-40-42(36,3
7)39-29-27-34)41-33(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,32H,3-9,11,13-3
1,34H2,1-2H3,(H,36,37)/b12-10-/t32-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)