Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01080049
Common NameProsopinine
Systematic Name6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol
Synonyms-
Exact Mass
287.2460 (neutral)    Calculate m/z:
FormulaC16H33NO3
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608371
CHEBI ID73903
InChIKeySEUBYHFHBZVRCC-QGAIPKOMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H33NO3/c1-2-14(19)9-7-5-3-4-6-8-13-10-11-16(20)15(12-18)17-13/h13-20H,2-12H2,1H3/t13-,14?,15-,16-/m1/s1
Click to highlight InChI
SMILES
[C@@H]1(CCCCCCCC(O)CC)CC[C@@H](O)[C@@H](CO)N1
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
310.37Topological Polar
Surface Area
72.72Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
3
 logP3.39Molar
Refractivity
84.19