Structure Database (LMSD)
Common Name
Cer(d18:0/24:0(2OH))
Systematic Name
N-(2-hydroxytetracosanoyl)-sphinganine
Synonyms
- Cer[AdS]
LM ID
LMSP02020033
Formula
Exact Mass
Calculate m/z
667.647859
Sum Composition
Abbrev Chains
Cer 18:0;O2/24:0;O
Status
Curated
3D model of Cer(d18:0/24:0(2OH))
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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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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References
String Representations
InChiKey (Click to copy)
DGORBCXEWSENPF-MOKHYRRWSA-N
InChi (Click to copy)
InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
0
Aromatic Rings
0
Rotatable Bonds
39
Van der Waals Molecular Volume
778.68
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
13.02
Molar Refractivity
206.00
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Created at
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Updated at
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