Structure database (LMSD)

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LM IDLMSP05010031
Common NameGlucosyl sphingosine
Systematic Name1-β-glucosyl-sphing-4-enine
SynonymsGlucosphingosine
Exact Mass
461.3353 (neutral)    Calculate m/z:
FormulaC24H47NO7
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem CID52931242
InChIKeyHHJTWTPUPVQKNA-AKPDOBRCSA-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
SMILES[H][C@](O)([C@@]([H])(N)CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)/C=C/CCCCCCCCCCCCC
StatusActive
ReferencesIdentification of Glucosyl Sphingosine
from Gaucher's Spleen by Gas Chromatography-Electron Impact
and GC-Chemical Ionization Mass Spectrometry
M. Oshima J. Biochem, 1976, Vol. 80, No. 1 53-59
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