Structure Database (LMSD)
Common Name
GlcCer(d18:2(4E,8Z)/16:0(2OH[R]))
Systematic Name
N-(2R-hydroxyhexadecanoyl)-1-β-glucosyl-4E,8Z-octadecasphingadienine
Synonyms
- 1-O-glucopyranosyl-2-N-2'-hydroxyhexadecanoyl-4,8-sphingadienine
LM ID
LMSP05010048
Formula
Exact Mass
Calculate m/z
713.544184
Sum Composition
Status
Active
3D model of GlcCer(d18:2(4E,8Z)/16:0(2OH[R]))
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
References
Reference
Influence of phytohormones on polar and hydrophobic parts of mixed phospholipid monolayers at water/air interface. Barbara Gzyl, Maria Filek and Anna Dudek. Journal of Colloid and Interface Science, Volume 269, Issue 1, January 2004, pp. 153-157.
https://www.sciencedirect.com/science/article/pii/S002197970300910X
https://www.sciencedirect.com/science/article/pii/S002197970300910X
String Representations
InChiKey (Click to copy)
HOMYIYLRRDTKAA-QZNXAUJSSA-N
InChi (Click to copy)
InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/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)CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
1
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
770.39
Topological Polar Surface Area
171.01
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
10
logP
8.99
Molar Refractivity
204.56
Admin
Created at
-
Updated at
26th Jul 2021