In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AKP
Common NameCer(d18:0/14:1(9Z))
Systematic NameN-(9Z-tetradecenoyl)-sphinganine
Synonyms-
Exact Mass
509.4808 (neutral)    Calculate m/z:
FormulaC32H63NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyCYBYQXACOZOWHU-XWQVIGHNSA-N
InChIInChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32
(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h10,12,30-31,34-35H,3-9,11,13-29H2,1-2H3,
(H,33,36)/b12-10-/t30-,31+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)