Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01020002
Common Name3-ketosphinganine
Systematic Name3-dehydrosphinganine
Synonyms-
Exact Mass
299.2824 (neutral)    Calculate m/z:
FormulaC18H37NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphinganines [SP0102]
PubChem CID439853
KEGG IDC02934
HMDB IDHMDB0001480
CHEBI ID17862
SWISSLIPIDS IDSLM:000000384
InChIKeyKBUNOSOGGAARKZ-KRWDZBQOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20
H,2-16,19H2,1H3/t17-/m0/s1
SMILESOC[C@]([H])(N)C(=O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
345.90Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.93Molar
Refractivity
91.38