Structure database (LMSD)

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LM IDLMSP0501AA09
Common NameGlcCer(d18:1/24:0)
Systematic NameN-(tetracosanoyl)-1-β-glucosyl-sphing-4-enine
SynonymsC24 GlcCer
Exact Mass
811.6901 (neutral)    Calculate m/z:
FormulaC48H93NO8
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem CID6321361
HMDB IDHMDB0004978
SWISSLIPIDS IDSLM:000395510
InChIKeyPOQRWMRXUOPCLD-AAAFHMTMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C48H93NO8/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/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(
H,49,52)/b37-35+/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(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@
]([H])(O)/C=C/CCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms57Rings1Aromatic Rings0Rotatable Bonds41
 van der Waals
Molecular Volume
902.64Topological Polar
Surface Area
150.78Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP13.08Molar
Refractivity
239.69