Structure Database (LMSD)
Common Name
GlcCer(d18:1/23:0)
Systematic Name
N-(tricosanoyl)-1-β-glucosyl-sphing-4-enine
Synonyms
LM ID
LMSP0501AA32
Formula
Exact Mass
Calculate m/z
797.674469
Sum Composition
Abbrev Chains
GlcCer 18:1;O2/23:0
Status
Active
3D model of GlcCer(d18:1/23:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
Filter by species:
ⓘ
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
SJGWLQDELUWRDA-LXFZZQTPSA-N
InChi (Click to copy)
InChI=1S/C47H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-43(51)48-40(39-55-47-46(54)45(53)44(52)42(38-49)56-47)41(50)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,40-42,44-47,49-50,52-54H,3-33,35,37-39H2,1-2H3,(H,48,51)/b36-34+/t40-,41+,42+,44+,45-,46+,47+/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(CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
56
Rings
1
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
885.34
Topological Polar Surface Area
150.78
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
12.69
Molar Refractivity
235.07
Admin
Created at
-
Updated at
26th Jul 2021