In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02039AC9
Common NameCer(t15:0/11:0)
Systematic NameN-(undecanoyl)-4R-hydroxypentadecasphinganine
Synonyms-
Exact Mass
443.3975 (neutral)    Calculate m/z:
FormulaC26H53NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
PubChem Compound ID (CID)-
InChIKeyKDHLLJGYJLEFMC-GSLIJJQTSA-N
InChIInChI=1S/C26H53NO4/c1-3-5-7-9-11-13-14-16-18-20-24(29)26(31)23(22-28)27-25(30)21
-19-17-15-12-10-8-6-4-2/h23-24,26,28-29,31H,3-22H2,1-2H3,(H,27,30)/t23-,24+,26-/
m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)