Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01010001
Common NameSphingosine (W)
Systematic NameSphing-4-enine
SynonymsSphingosine; 4-Sphingenine; D-erythro-Sphingosine; (2S,3R,4E)-2-Amino-4-
octadecene-1,3-diol; 4-trans-Sphingenine; Sphingenine; 2S-Amino-4E-octadecene-
1,3R-diol
Exact Mass
299.2824 (neutral)    Calculate m/z:
FormulaC18H37NO2
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphing-4-enines (Sphingosines) [SP0101]
PubChem Compound ID (CID)5280335
KEGG IDC00319
HMDB IDHMDB00252
CHEBI ID16393
InChIKeyWWUZIQQURGPMPG-KRWOKUGFSA-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/h14-15
,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
345.90Topological Polar
Surface Area
66.48Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
2
 logP4.78Molar
Refractivity
92.80    
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