Structure Database (LMSD)

Common Name
Phytosphingosine
Systematic Name
4R-hydroxysphinganine
Synonyms
  • 4-hydroxysphinganine
LM ID
LMSP01030001
Status
Active
Exact Mass
Calculate m/z
317.292994
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)
AERBNCYCJBRYDG-KSZLIROESA-N
InChi (Click to copy)
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)[C@@](O)([H])CCCCCCCCCCCCCC

References

Other Databases

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

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 357.33
Topological Polar Surface Area 86.71
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 3
logP 4.26
Molar Refractivity 94.80

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Created at
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Updated at
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