Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01040003
Common NameC17 Sphinganine
Systematic Nameheptadecasphinganine
Synonyms-
Exact Mass
287.2824 (neutral)    Calculate m/z:
FormulaC17H37NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base homologs and variants [SP0104]
PubChem CID3247037
CAYMAN ID22510
InChIKeyKFQUQCFJDMSIJF-DLBZAZTESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h16-17,19
-20H,2-15,18H2,1H3/t16-,17+/m0/s1
SMILESOC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCCC
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
331.24Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.62Molar
Refractivity
88.28