Structure Database (LMSD)

Common Name
Sphingosine-1-phosphocholine
Systematic Name
Sphing-4-enine-1-phosphocholine
Synonyms
  • SM(d18:1/0:0)
LM ID
LMSP01060001
Status
Active
Exact Mass
Calculate m/z
464.337911
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)
JLVSPVFPBBFMBE-HXSWCURESA-N
InChi (Click to copy)
InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/b18-17+/t22-,23+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 489.60
Topological Polar Surface Area 104.84
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.57
Molar Refractivity 129.10

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Created at
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Updated at
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