In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AES
Common NameCer(d16:0/12:0)
Systematic NameN-(dodecanoyl)-hexadecasphinganine
Synonyms-
Exact Mass
455.4338 (neutral)    Calculate m/z:
FormulaC28H57NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyFNHINHUCFOXPQA-RRPNLBNLSA-N
InChIInChI=1S/C28H57NO3/c1-3-5-7-9-11-13-14-16-17-19-21-23-27(31)26(25-30)29-28(32)24
-22-20-18-15-12-10-8-6-4-2/h26-27,30-31H,3-25H2,1-2H3,(H,29,32)/t26-,27+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)