Structure database (LMSD)

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LM IDLMSP0501AA23
Common NameGlcCer(d18:0/24:0)
Systematic NameN-(tetracosanoyl)-1-β-glucosyl-sphinganine
SynonymsC24DH GlcCer
Exact Mass
813.7058 (neutral)    Calculate m/z:
FormulaC48H95NO8
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem CID6321368
SWISSLIPIDS IDSLM:000398981
InChIKeySNPQGCDJHZAVOB-GRWFBJOFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C48H95NO8/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/h41-43,45-48,50-51,53-55H,3-40H2,1-2H3,(H,49,52)/t41-,4
2+,43+,45+,46?,47?,48+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@
]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms57Rings1Aromatic Rings0Rotatable Bonds42
 van der Waals
Molecular Volume
905.28Topological Polar
Surface Area
150.78Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP13.31Molar
Refractivity
239.78