Structure Database (LMSD)

Common Name
Sphingosine
Systematic Name
Sphing-4-enine
Synonyms
  • Sphingosine
  • 4-Sphingenine
  • D-erythro-Sphingosine
  • (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol
  • 4-trans-Sphingenine
  • Sphingenine
  • 2S-Amino-4E-octadecene-1,3R-diol
LM ID
LMSP01010001
Status
Active
Exact Mass
Calculate m/z
299.282429
Formula
Abbrev



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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
WWUZIQQURGPMPG-KRWOKUGFSA-N
InChi (Click to copy)
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 345.90
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.78
Molar Refractivity 92.80

Reactions

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Reactions graph legend

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Created at
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Updated at
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