Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP07000001
Common NamePsychosine
Systematic Name1-β-galactosyl-sphing-4-enine
SynonymsGalactosylsphingosine
Exact Mass
461.3353 (neutral)    Calculate m/z:
FormulaC24H47NO7
CategorySphingolipids [SP]
Main ClassBasic glycosphingolipids [SP07]
Sub Class-
PubChem Compound ID (CID)9547206
KEGG IDC01747
HMDB IDHMDB00648
CHEBI ID16874
InChIKeyHHJTWTPUPVQKNA-FTGCVQCNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(
30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t1
8-,19+,20+,21-,22?,23?,24+/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings1Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
481.29Topological Polar
Surface Area
147.70Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
7
 logP4.32Molar
Refractivity
128.48    
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