Structure database (LMSD)

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LM IDLMSP01080007
Common Name(4E,6E,d14:2) sphingosine
Systematic Nametetradecasphinga-4E,6E-dienine
Synonyms-
Exact Mass
241.2042 (neutral)    Calculate m/z:
FormulaC14H27NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608347
CHEBI ID137787
InChIKeyUWJZVNRNKDOZCA-LNFMSFKKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h8-11,13-14,16-17H,2-7,12,15H2,1H3/b9-8+,11-10+/t13-,14+/m0/s1
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SMILES
C([C@H](N)[C@H](O)/C=C/C=C/CCCCCCC)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
274.06Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP3.00Molar
Refractivity
74.24