Structure database (LMSD)

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LM IDLMSP01080052
Common NameLepadin D
Systematic Name5S-(5S-hydroxyoctyl)-2S-methyldecahydroquinolin-3R-ol
Synonyms-
Exact Mass
297.2668 (neutral)    Calculate m/z:
FormulaC18H35NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608374
InChIKeyLNSIIDDYOVTXHK-YQZYXFPUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/t13-,14-,15-,16?,17?,18+/m0/s1
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SMILES
C1[C@@H](O)[C@H](C)NC2CCC[C@H](CCCC[C@@H](O)CCC)C12
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings2Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
323.82Topological Polar
Surface Area
52.49Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.38Molar
Refractivity
89.27