In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AXF
Common NameCer(d14:0/12:0)
Systematic NameN-(dodecanoyl)-tetradecasphinganine
Synonyms-
Exact Mass
427.4025 (neutral)    Calculate m/z:
FormulaC26H53NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyIDGMZCHIJPRPQU-LOSJGSFVSA-N
InChIInChI=1S/C26H53NO3/c1-3-5-7-9-11-13-15-17-19-21-25(29)24(23-28)27-26(30)22-20-18
-16-14-12-10-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)