In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02039AUI
Common NameCer(t21:0/10:0(2OH[R]))
Systematic NameN-(2R-hydroxydecanoyl)-4R-hydroxyheneicosasphinganine
SynonymsCer(t31:0h); Cer(t21:0/10:0h)
Exact Mass
529.4706 (neutral)    Calculate m/z:
FormulaC31H63NO5
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
PubChem Compound ID (CID)-
InChIKeyVSBRVKQIYVMCLM-KJHMZRPRSA-N
InChIInChI=1S/C31H63NO5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-22-24-28(34)30(36)27
(26-33)32-31(37)29(35)25-23-20-10-8-6-4-2/h27-30,33-36H,3-26H2,1-2H3,(H,32,37)/t
27-,28+,29+,30-/m0/s1
SMILES[C@](CO)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)