Structure Database (LMSD)
Common Name
GlcCer(d18:0/18:0)
Systematic Name
N-(octadecanoyl)-1-β-glucosyl-sphinganine
Synonyms
- C18DH GlcCer
LM ID
LMSP0501AA19
Formula
Exact Mass
Calculate m/z
729.611869
Sum Composition
Abbrev Chains
GlcCer 18:0;O2/18:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of GlcCer(d18:0/18:0)
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)
DSRCOSQOBBICFU-PGDSXFBCSA-N
InChi (Click to copy)
InChI=1S/C42H83NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35-37,39-42,44-45,47-49H,3-34H2,1-2H3,(H,43,46)/t35-,36+,37+,39+,40-,41+,42+/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(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mus musculus
(#10090)
Mammalia
(#40674)
Subcellular organelle lipidomics in TLR-4-activated macrophages.,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20574076
DOI:
10.1194/jlr.M008748
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
1
Aromatic Rings
0
Rotatable Bonds
36
Van der Waals Molecular Volume
801.48
Topological Polar Surface Area
150.78
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
10.97
Molar Refractivity
212.08
Admin
Created at
-
Updated at
26th Jul 2021