In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02029AA1
Common NamePE(O-14:0/18:2(9E,12E))
Systematic Name1-tetradecyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
SynonymsPE(O-32:2); PE(O-14:0/18:2)
Exact Mass
673.5046 (neutral)    Calculate m/z:
FormulaC37H72NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
PubChem Compound ID (CID)-
InChIKeyZOGPPFUHTSDOJM-KYTOASSCSA-N
InChIInChI=1S/C37H72NO7P/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/h11,13,17-
18,36H,3-10,12,14-16,19-35,38H2,1-2H3,(H,40,41)/b13-11+,18-17+/t36-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)