Structure Database (LMSD)
Common Name
GlcCer(d18:2(4E,8Z)/24:0(2OH[R]))
Systematic Name
N-(2R-hydroxytetracosanoyl)-1-β-glucosyl-4E,8Z-octadecasphingadienine
Synonyms
- 1-O-glucopyranosyl-2-N-2'-hydroxytetracosanoyl-4,8-sphingadienine
LM ID
LMSP05010056
Formula
Exact Mass
Calculate m/z
825.669384
Sum Composition
Abbrev Chains
GlcCer 18:2;O2/24:0;O
Status
Active
3D model of GlcCer(d18:2(4E,8Z)/24:0(2OH[R]))
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WJKBJBJBUDIMHM-YPXPOPQXSA-N
InChi (Click to copy)
InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h26,28,34,36,40-46,48,50-55H,3-25,27,29-33,35,37-39H2,1-2H3,(H,49,56)/b28-26-,36-34+/t40-,41+,42+,43+,44+,45-,46+,48+/m0/s1
SMILES (Click to copy)
[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Dimocarpus longan
(#128017)
Magnoliopsida
(#3398)
Cerebrosides from Longan Arillus.,
Arch Pharm Res, 2003
Arch Pharm Res, 2003
Pubmed ID:
12643590
Oryza sativa
(#4530)
Magnoliopsida
(#3398)
Analysis of glucosylceramides from various sources by liquid chromatography-ion trap mass spectrometry.,
J Oleo Sci, 2010
J Oleo Sci, 2010
Pubmed ID:
20513973
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
58
Rings
1
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
908.79
Topological Polar Surface Area
171.01
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
10
logP
12.12
Molar Refractivity
241.49
Admin
Created at
-
Updated at
14th Apr 2021