Structure Database (LMSD)
Common Name
GlcCer(d18:0/24:1(15Z))
Systematic Name
N-(15Z-tetracosenoyl)-1-β-glucosyl-sphinganine
Synonyms
- C24:1DH GlcCer
LM ID
LMSP0501AA22
Formula
Exact Mass
Calculate m/z
811.690119
Sum Composition
Abbrev Chains
GlcCer 18:0;O2/24:1
Status
Active
3D model of GlcCer(d18:0/24:1(15Z))
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
String Representations
InChiKey (Click to copy)
SNVYJLGKALMFOP-RPSGWCFXSA-N
InChi (Click to copy)
InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,41-43,45-48,50-51,53-55H,3-16,19-40H2,1-2H3,(H,49,52)/b18-17-/t41-,42+,43+,45+,46-,47+,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(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
57
Rings
1
Aromatic Rings
0
Rotatable Bonds
41
Van der Waals Molecular Volume
902.64
Topological Polar Surface Area
150.78
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
13.08
Molar Refractivity
239.69
Admin
Created at
-
Updated at
26th Jul 2021