Structure database (LMSD)

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LM IDLMSP01080051
Common NameProsafrinine
Systematic Name11-(5S-hydroxy-6S-methylpiperidin-2R-yl)undecan-3-one
Synonyms-
Exact Mass
283.2511 (neutral)    Calculate m/z:
FormulaC17H33NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608373
CHEBI ID137782
InChIKeyFNYMOMSUWLCHBY-UXLLHSPISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H33NO2/c1-3-16(19)11-9-7-5-4-6-8-10-15-12-13-17(20)14(2)18-15/h14-15,17-18,20H,3-13H2,1-2H3/t14-,15+,17-/m0/s1
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SMILES
[C@@H]1(CCCCCCCCC(=O)CC)CC[C@H](O)[C@H](C)N1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
316.24Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.45Molar
Refractivity
85.40