Structure database (LMSD)

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LM IDLMSP01080050
Common NameMicropine
Systematic Name6S-((deca-1E,3E,5E-trienyl)-2R-(hydroxymethyl)-piperidin-3R-ol
Synonyms-
Exact Mass
265.2042 (neutral)    Calculate m/z:
FormulaC16H27NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608372
InChIKeyYVWVILBCUPRAIC-LKFDHHINSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-
19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1
SMILES[C@@H]1(/C=C/C=C/C=C/CCCC)CC[C@@H](O)[C@@H](CO)N1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
293.66Topological Polar
Surface Area
52.49Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP3.46Molar
Refractivity
82.01