Structure Database (LMSD)
Common Name
Cer(d18:2/26:0)
Systematic Name
N-(hexacosanoyl)-4E,14Z-sphingadienine
Synonyms
- Cer[NSD]
LM ID
LMSP02010173
Formula
Exact Mass
Calculate m/z
675.652944
Sum Composition
Abbrev Chains
Cer 18:2;O2/26:0
Status
Active
3D model of Cer(d18:2/26:0)
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)
BIXMPORZPDFABC-SDGKVETASA-N
InChi (Click to copy)
InChI=1S/C44H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h8,10,37,39,42-43,46-47H,3-7,9,11-36,38,40-41H2,1-2H3,(H,45,48)/b10-8-,39-37+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC
References
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
0
Aromatic Rings
0
Rotatable Bonds
39
Van der Waals Molecular Volume
799.21
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
14.10
Molar Refractivity
213.14
Reactions
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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.
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Admin
Created at
4th May 2020
Updated at
4th May 2020