In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP02029AAS
Common NamePE(O-14:0/18:1(17Z))
Systematic Name1-tetradecyl-2-(13Z-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)-
InChIKeyFYZFBMWJNBXXNJ-PSXMRANNSA-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/h3,36H,1,4
-35,38H2,2H3,(H,40,41)/t36-/m1/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCCCCCCC=C)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)