In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02039DDL
Common NamePE(P-14:0/15:0)
Systematic Name1-(1Z-tetradecenyl)-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(P-29:0); PE(P-14:0/15:0)
Exact Mass
633.4733 (neutral)    Calculate m/z:
FormulaC34H68NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
PubChem Compound ID (CID)-
InChIKeyFFWRBTNAXRQHBM-RAQPATMFSA-N
InChIInChI=1S/C34H68NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34(36)42-33(32-41-43(3
7,38)40-30-28-35)31-39-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h26,29,33H,3-25,27-
28,30-32,35H2,1-2H3,(H,37,38)/b29-26-/t33-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)