Structure database (LMSD)

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LM IDLMSP0501AA08
Common NameGlcCer(d18:1/24:1(15Z))
Systematic NameN-(15Z-tetracosenoyl)-1-β-glucosyl-sphing-4-enine
SynonymsC24:1 GlcCer; C24:1 Glucosyl ceramide
Exact Mass
809.6745 (neutral)    Calculate m/z:
FormulaC48H91NO8
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem CID6321360
SWISSLIPIDS IDSLM:000395456
InChIKeyWBOZIXHPUPAOIA-RBELZSLISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36
-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-2
7-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-
40H2,1-2H3,(H,49,52)/b18-17-,37-35+/t41-,42+,43+,45+,46?,47?,48+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)
[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings1Rotatable Bonds8
 van der Waals
Molecular Volume
269.68Topological Polar
Surface Area
107.97Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP2.29Molar
Refractivity
71.49