Structure Database (LMSD)
Common Name
3-ketosphinganine
Systematic Name
3-dehydrosphinganine
Synonyms
LM ID
LMSP01020002
Formula
Exact Mass
Calculate m/z
299.282429
Sum Composition
Status
Active
3D model of 3-ketosphinganine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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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
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
PDB ID
GuidePharm 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
Admin
Created at
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Updated at
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