Structure Database (LMSD)
Common Name
GlcCer(d18:1/20:0)
Systematic Name
N-(eicosanoyl)-1-β-glucosyl-sphing-4-enine
Synonyms
- C20 GlcCer
LM ID
LMSP0501AA06
Formula
Exact Mass
Calculate m/z
755.627519
Sum Composition
Abbrev Chains
GlcCer 18:1;O2/20:0
Status
Active
3D model of GlcCer(d18:1/20:0)
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
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String Representations
InChiKey (Click to copy)
DFELABABMXOKTD-IYFIADHGSA-N
InChi (Click to copy)
InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31+/t37-,38+,39+,41+,42-,43+,44+/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(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
1
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
833.44
Topological Polar Surface Area
150.78
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
11.52
Molar Refractivity
221.22
Admin
Created at
-
Updated at
26th Jul 2021