Structure database (LMSD)

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LM IDLMSP05010058
Common NameGlcCer(t18:1(8E)/24:0(2OH[R]))
Systematic NameN-(2R-hydroxytetracosanoyl)-1-β-glucosyl-4R-hydroxy-8E-octadecasphingenine
Synonyms1-O-glucopyranosyl-2-N-2'-hydroxytetracosanoyl-4-hydroxy-8-sphingenine
Exact Mass
843.6799 (neutral)    Calculate m/z:
FormulaC48H93NO10
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem CID134812552
InChIKeyQZNIVVAKPLIDJX-CKIGNWJCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-3
6-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-
31-29-27-25-16-14-12-10-8-6-4-2/h27,29,39-46,48,50-56H,3-26,28,30-38H2,1-2H3,(H,
49,57)/b29-27+/t39-,40+,41+,42+,43-,44+,45?,46?,48+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC
)=O)[C@]([H])(O)[C@@H](CCC/C=C/CCCCCCCCC)O
MS SpectraView MoNA MS spectra     
StatusActive
ReferencesA Novel Ceramide from the Roots of Derris elliptica. Hai-Ying Lu, Jing-Yu Liang. Chinese Journal of Natural Medicines. Volume 9, Issue 2, March 2011, pp.94-97.

https://www.sciencedirect.com/science/article/pii/S1875536411600447
Calculated physicochemical properties (?):
 Heavy Atoms59Rings1Aromatic Rings0Rotatable Bonds41
 van der Waals
Molecular Volume
920.22Topological Polar
Surface Area
191.24Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
11
 logP11.60Molar
Refractivity
243.49