In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02039DDI
Common NamePE(P-14:0/13:0)
Systematic Name1-(1Z-tetradecenyl)-2-tridecanoyl-sn-glycero-3-phosphoethanolamine
SynonymsPE(P-27:0); PE(P-14:0/13:0)
Exact Mass
605.4420 (neutral)    Calculate m/z:
FormulaC32H64NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
PubChem Compound ID (CID)-
InChIKeyCXMRRTFFCBNNPC-ZTDFSSNHSA-N
InChIInChI=1S/C32H64NO7P/c1-3-5-7-9-11-13-15-16-18-20-22-24-27-37-29-31(30-39-41(35,3
6)38-28-26-33)40-32(34)25-23-21-19-17-14-12-10-8-6-4-2/h24,27,31H,3-23,25-26,28-
30,33H2,1-2H3,(H,35,36)/b27-24-/t31-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)