In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AB8
Common NameCer(d15:0/16:1(9Z))
Systematic NameN-(9Z-hexadecenoyl)-pentadecasphinganine
Synonyms-
Exact Mass
495.4651 (neutral)    Calculate m/z:
FormulaC31H61NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyUUDHBUKJHVSSIE-MKFSOYGASA-N
InChIInChI=1S/C31H61NO3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-31(35)32-29(28-33)30
(34)26-24-22-20-18-14-12-10-8-6-4-2/h13,15,29-30,33-34H,3-12,14,16-28H2,1-2H3,(H
,32,35)/b15-13-/t29-,30+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)