Structure Database (LMSD)

Common Name
Prosafrinine
Systematic Name
11-(5S-hydroxy-6S-methylpiperidin-2R-yl)undecan-3-one
Synonyms
LM ID
LMSP01080051
Formula
C17H33NO2
Exact Mass
Calculate m/z
283.251129
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

String Representations

InChiKey (Click to copy)
FNYMOMSUWLCHBY-UXLLHSPISA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@@H]1(CCCCCCCCC(=O)CC)CC[C@H](O)[C@H](C)N1

Other Databases

CHEBI ID
137782
PubChem CID
42608373

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 316.24
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.45
Molar Refractivity 85.40

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Updated at
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