Structure Database (LMSD)

Common Name
Prosopinine
Systematic Name
6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol
Synonyms
LM ID
LMSP01080049
Formula
C16H33NO3
Exact Mass
Calculate m/z
287.246044
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)
SEUBYHFHBZVRCC-QGAIPKOMSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@@H]1(CCCCCCCC(O)CC)CC[C@@H](O)[C@@H](CO)N1

Other Databases

CHEBI ID
73903
PubChem CID
42608371

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 310.37
Topological Polar Surface Area 72.72
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 3
logP 3.39
Molar Refractivity 84.19

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Updated at
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