In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02039DEC
Common NamePE(P-14:0/18:4(9E,11E,13E,15E))
Systematic Name1-(1Z-tetradecenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-
phosphoethanolamine
SynonymsPE(P-32:4); PE(P-14:0/18:4)
Exact Mass
667.4577 (neutral)    Calculate m/z:
FormulaC37H66NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
PubChem Compound ID (CID)-
InChIKeyYOIRPYCJGDWEBT-BKIBMFJNSA-N
InChIInChI=1S/C37H66NO7P/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/h5,7,9,11,
13,15,17-18,29,32,36H,3-4,6,8,10,12,14,16,19-28,30-31,33-35,38H2,1-2H3,(H,40,41)
/b7-5+,11-9+,15-13+,18-17+,32-29-/t36-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)