In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP03029AAH
Common NamePE-Cer(d14:0/13:0)
Systematic NameN-(tridecanoyl)-tetradecasphinganine-1-phosphoethanolamine
Synonyms-
Exact Mass
564.4267 (neutral)    Calculate m/z:
FormulaC29H61N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphoethanolamines [SP0302]
PubChem Compound ID (CID)-
InChIKeyOGJVAUJJDOZNRP-WUFINQPMSA-N
InChIInChI=1S/C29H61N2O6P/c1-3-5-7-9-11-13-15-17-19-21-23-29(33)31-27(26-37-38(34,35)
36-25-24-30)28(32)22-20-18-16-14-12-10-8-6-4-2/h27-28,32H,3-26,30H2,1-2H3,(H,31,
33)(H,34,35)/t27-,28+/m0/s1
SMILES[C@](COP(=O)(O)OCCN)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)