In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AFM
Common NameCer(d16:0/18:2(6Z,9Z))
Systematic NameN-(6Z,9Z-octadecadienoyl)-hexadecasphinganine
Synonyms-
Exact Mass
535.4964 (neutral)    Calculate m/z:
FormulaC34H65NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyFYEUJRORGLHYSW-JUGRUSEASA-N
InChIInChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-34(38)35-32(31
-36)33(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,20,22,32-33,36-37H,3-15,18-1
9,21,23-31H2,1-2H3,(H,35,38)/b17-16-,22-20-/t32-,33+/m0/s1
SMILES[C@](CO)([H])(NC(CCCC/C=C\C/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)