In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AC8
Common NameCer(d15:0/20:2(11Z,14Z))
Systematic NameN-(11Z,14Z-eicosadienoyl)-pentadecasphinganine
Synonyms-
Exact Mass
549.5121 (neutral)    Calculate m/z:
FormulaC35H67NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyVQYWLEHDWBKSPG-KZCLKKPKSA-N
InChIInChI=1S/C35H67NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36
-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,33-34,37-38H,3-10,1
2,14-15,18-32H2,1-2H3,(H,36,39)/b13-11-,17-16-/t33-,34+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)