Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01080014
Common Name(9Me,4E,8E,10E-d19:3)sphingosine
Systematic Name9-methyl-sphinga-4E,8E,10E-trienine
Synonyms-
Exact Mass
309.2668 (neutral)    Calculate m/z:
FormulaC19H35NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608350
InChIKeyYWSMQDAGCQEIIC-SNNCSWOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H35NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h10
,12-15,18-19,21-22H,3-9,11,16,20H2,1-2H3/b13-10+,15-12+,17-14+/t18-,19+/m0/s1
SMILESC([C@H](N)[C@H](O)/C=C/CC/C=C(\C)/C=C/CCCCCCC)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
357.92Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.72Molar
Refractivity
97.23