Structure Database (LMSD)

Common Name
C14 sphingosine
Systematic Name
tetradecasphing-4E-enine
Synonyms
  • (4E,d14:1) sphingosine
LM ID
LMSP01040006
Status
Active
Exact Mass
Calculate m/z
243.219829
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VDRZDTXJMRRVMF-NXFSIWHZSA-N
InChi (Click to copy)
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/b11-10+/t13-,14+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CCCCCCCCC)O

References

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 276.70
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 3.22
Molar Refractivity 74.33

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Created at
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Updated at
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