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
C18H37NO2
Abbrev
SPB 18:1;O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphinganines [SP0102]

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
C02934
HMDB ID
HMDB0001480
CHEBI ID
17862
PubChem CID
439853
SwissLipids ID
SLM:000000384

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

Reactions

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Reactions graph legend

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Created at
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Updated at
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