Structure Database (LMSD)

Common Name
3-ketosphingosine
Systematic Name
3-keto-sphing-4-enine
Synonyms
  • (2S,4E)-3-ketosphingosine
LM ID
LMSP01010002
Status
Active
Exact Mass
Calculate m/z
297.266779
Formula
Abbrev


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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)
VWTPJNGTEYZXFV-ZWKQNVPVSA-N
InChi (Click to copy)
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17,20H,2-13,16,19H2,1H3/b15-14+/t17-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(N)C(=O)/C=C/CCCCCCCCCCCCC

References

Reference
Tomasz J. Proszynski, Robin W. Klemm, Maike Gravert, Peggy P. Hsu, Yvonne Gloor, Jan Wagner, Karol Kozak, Hannes Grabner, Karen Walzer, Michel Bagnat, Kai Simons, and Christiane Walch-Solimena
A genome-wide visual screen reveals a role for sphingolipids and ergosterol in cell surface delivery in yeast
PNAS 2005 102 (50) 17981-17986; published ahead of print December 5, 2005, doi:10.1073/pnas.0509107102

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
A genome-wide visual screen reveals a role for sphingolipids and ergosterol in cell surface delivery in yeast.,
Proc Natl Acad Sci U S A, 2005
Pubmed ID: 16330752

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 343.26
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.70
Molar Refractivity 91.29

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Updated at
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