Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01020001
Common NameSphinganine
Systematic NameSphinganine
SynonymsDihydrosphingosine; Octadecasphinganine; D-erythro-Sphinganine; D-erythro-2-
Amino-1,3-octadecanediol
Exact Mass
301.2981 (neutral)    Calculate m/z:
FormulaC18H39NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphinganines [SP0102]
PubChem CID91486
KEGG IDC00836
HMDB IDHMDB0000269
CHEBI ID16566
SWISSLIPIDS IDSLM:000000035
CAYMAN ID10007945
InChIKeyOTKJDMGTUTTYMP-ZWKOTPCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESOC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
348.54Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP5.01Molar
Refractivity
92.89