In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02019AI5
Common NameCer(d14:2(4E,8E)/13:0)
Systematic NameN-(tridecanoyl)-4E,8E-tetradecasphingadienine
Synonyms-
Exact Mass
437.3869 (neutral)    Calculate m/z:
FormulaC27H51NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem Compound ID (CID)-
InChIKeyMFFLRFQJFCVDNZ-QNIPLGLTSA-N
InChIInChI=1S/C27H51NO3/c1-3-5-7-9-11-13-15-17-19-21-23-27(31)28-25(24-29)26(30)22-20
-18-16-14-12-10-8-6-4-2/h12,14,20,22,25-26,29-30H,3-11,13,15-19,21,23-24H2,1-2H3
,(H,28,31)/b14-12+,22-20+/t25-,26+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)