Structure Database (LMSD)
Common Name
Cer(d18:0/22:0)
Systematic Name
N-(docosanoyl)-sphinganine
Synonyms
- C22DH Cer
- N-(docosanoyl)-dihydroceramide
- N-(docosanoyl)-dihydroceramide
- Cer[NdS]
LM ID
LMSP02020010
Formula
Exact Mass
Calculate m/z
623.621644
Sum Composition
Abbrev Chains
Cer 18:0;O2/22:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(d18:0/22:0)
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)
SXPRAKSDHOEHIG-ZESVVUHVSA-N
InChi (Click to copy)
InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,41,44)/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
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
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
735.29
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
12.99
Molar Refractivity
194.86
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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Created at
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Updated at
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