In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02039AIE
Common NameCer(t16:0/25:0)
Systematic NameN-(pentacosanoyl)-4R-hydroxyhexadecasphinganine
Synonyms-
Exact Mass
653.6322 (neutral)    Calculate m/z:
FormulaC41H83NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
PubChem Compound ID (CID)-
InChIKeyDXTUPECWMAQGSF-CUVPNIRJSA-N
InChIInChI=1S/C41H83NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32
-34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-14-12-10-8-6-4-2/h38-39,41,4
3-44,46H,3-37H2,1-2H3,(H,42,45)/t38-,39+,41-/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)