Structure database (LMSD)

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LM IDLMSP01080004
Common Name5-hydroxy,3E-sphingosine
Systematic Name2R-amino-3E-octadecene-1,5-diol
Synonyms-
Exact Mass
299.2824 (neutral)    Calculate m/z:
FormulaC18H37NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608344
InChIKeyZQYNBVSXIQZMEO-TVSYHJGPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)15-14-17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18?/m1/s1
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SMILES
C([C@H](N)/C=C/C(O)CCCCCCCCCCCCC)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
345.90Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.78Molar
Refractivity
92.80