Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01070001
Common NameN,N-dimethylsphingosine
Systematic NameN,N-dimethylsphing-4-enine
Synonyms-
Exact Mass
327.3137 (neutral)    Calculate m/z:
FormulaC20H41NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassN-methylated sphingoid bases [SP0107]
PubChem CID5282309
HMDB IDHMDB0013645
CAYMAN ID62575
InChIKeyYRXOQXUDKDCXME-YIVRLKKSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/
h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
SMILESOC[C@]([H])(N(C)C)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
380.50Topological Polar
Surface Area
43.70Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.38Molar
Refractivity
102.30