Structure Database (LMSD)

Common Name
3-ketosphinganine
Systematic Name
3-dehydrosphinganine
Synonyms
LM ID
LMSP01020002
Status
Active
Exact Mass
Calculate m/z
299.282429
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)
KBUNOSOGGAARKZ-KRWDZBQOSA-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/h17,20H,2-16,19H2,1H3/t17-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)C(=O)CCCCCCCCCCCCCCC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 345.90
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.93
Molar Refractivity 91.38

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Created at
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Updated at
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