In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02039DEB
Common NamePE(P-14:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name1-(1Z-tetradecenyl)-2-(6Z,9Z,12Z,15Z-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)-
InChIKeyOHTWGWCBDJCGIH-RNNKBXBNSA-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/h5,7,11,13
,17-18,20,22,29,32,36H,3-4,6,8-10,12,14-16,19,21,23-28,30-31,33-35,38H2,1-2H3,(H
,40,41)/b7-5-,13-11-,18-17-,22-20-,32-29-/t36-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCC
C
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)