Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01040008
Common NameC16 Sphingosine
Systematic NameHexadecasphing-4E-enine
SynonymsHexadecasphingosine
Exact Mass
271.2511 (neutral)    Calculate m/z:
FormulaC16H33NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base homologs and variants [SP0104]
PubChem CID14767871
InChIKeyBTUSGZZCQZACPT-YYZTVXDQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16
,18-19H,2-11,14,17H2,1H3/b13-12+/t15-,16+/m0/s1
SMILESOC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
311.30Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.00Molar
Refractivity
83.57