In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02039AAX
Common NameCer(t14:0/18:0)
Systematic NameN-(octadecanoyl)-4R-hydroxytetradecasphinganine
Synonyms-
Exact Mass
527.4914 (neutral)    Calculate m/z:
FormulaC32H65NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
PubChem Compound ID (CID)-
InChIKeyWMDOBMAGLFVEMR-WTGSTYHVSA-N
InChIInChI=1S/C32H65NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-31(36)33-29(28
-34)32(37)30(35)26-24-22-20-12-10-8-6-4-2/h29-30,32,34-35,37H,3-28H2,1-2H3,(H,33
,36)/t29-,30+,32-/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)