In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02039DD3
Common NamePE(P-14:0/18:2(2E,4E))
Systematic Name1-(1Z-tetradecenyl)-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
SynonymsPE(P-32:2); PE(P-14:0/18:2)
Exact Mass
671.4890 (neutral)    Calculate m/z:
FormulaC37H70NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
PubChem Compound ID (CID)-
InChIKeyUCIOTACANBRJBT-LBSFATIMSA-N
InChIInChI=1S/C37H70NO7P/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/h24,26,28-
30,32,36H,3-23,25,27,31,33-35,38H2,1-2H3,(H,40,41)/b26-24+,30-28+,32-29-/t36-/m1
/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)