In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02029AAX
Common NamePE(O-14:0/18:1(9Z))
Systematic Name1-tetradecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
SynonymsPE(O-32:1); PE(O-14:0/18:1)
Exact Mass
675.5203 (neutral)    Calculate m/z:
FormulaC37H74NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoethanolamines [GP02]
Sub Class1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
PubChem Compound ID (CID)-
InChIKeyKKANWVYVPSCPHQ-UVCQAILXSA-N
InChIInChI=1S/C37H74NO7P/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/h17-18,36H
,3-16,19-35,38H2,1-2H3,(H,40,41)/b18-17-/t36-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)