Structure Database (LMSD)

Common Name
Sphinganine
Systematic Name
Sphinganine
Synonyms
  • Dihydrosphingosine
  • Octadecasphinganine
  • D-erythro-Sphinganine
  • D-erythro-2-Amino-1,3-octadecanediol
LM ID
LMSP01020001
Status
Active
Exact Mass
Calculate m/z
301.298079
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)
OTKJDMGTUTTYMP-ZWKOTPCHSA-N
InChi (Click to copy)
InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCCCC

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

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 16
Van der Waals Molecular Volume 348.54
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 5.01
Molar Refractivity 92.89

Reactions

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Reactions graph legend

Admin

Created at
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Updated at
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